PRESENTATIONS


237. 11/19/2023: “Advanced simulations of molecular and ionic transport in novel materials”, in-person invited talk given at the Functional Porous Materials & Reticular Chemistry Workshop, Nov. 18-19, 2023, Haikou, China.

236. 11/14/2023: “Features of confined hydrogen bond network”, in-person invited talk given at the Leiden Workshop on Electrochemical Energy Storage in 2D and Layered Materialss, Leiden, Netherlands, Nov. 14-17, 2023.

235. 10/7/2023: “Membranes, superionic conductors, and nanocatalysts: From design to deep learning”, invited seminar given at the Southern Illionois University at Carbondale.

234. 9/19/2023: “Advanced simulations of molecular and ionic transport in novel materials”, in-person invited talk given at the 2nd ORNL-VU Collaborative Workshop, at ORNL, Oak Ridge, TN, Sept. 18-19, 2023.

233. 9/8/2023: “Locating hydrides in copper nanoclusters by deep learning”, in-person invited talk given at the 5th Conference of Theory and Applications of Computational Chemistry (TACC), Sapporo, Japan, Sept. 4-9, 2023.

232. 8/30/2023: “Membranes, superionic conductors, and nanocatalysts: From design to deep learning”, in-person seminar given at Department of Chemical and Materials Engineering, University of Kentucky, Lexington.

231. 8/17/2023: “Pinpointing hydrides in copper nanocluster catalysts by deep learning”, in-person invited talk given at the ACS National Meeting, San Francisco, CA, Aug. 13-17, 2023.

230. 8/16/2023: “Machine-Learning Approach to Separations of Lanthanides and Actinides”, in-person invited talk given at the ACS National Meeting, San Francisco, CA, Aug. 13-17, 2023.

229. 7/21/2023: “Molecular and ionic transport in novel materials”, invited talk given at the Telluride Workshop on Computational Materials Chemistry, 7/17-7/21/2023, Telluride, CO.

228. 7/7/2023: “Advanced simulations of molecular and ionic transport in novel materials”, invited seminar given at College of Materials Science and Engineering, Peking University, Beijing, China.

227. 7/3/2023: “Advanced simulations of molecular and ionic transport in novel materials”, invited talk given at Cluster Materials Workshop, School of Materials and New Energy, Ningxia Univ., Yinchuan, China.

226. 6/6/2023: “Advanced simulations of molecular and ionic transport in novel materials”, virtual seminar given to College of Chemistry, Jilin Univ., Changchun, China.

225. 5/30/2023: “Computational Insights into Carbonaceous Materials for Energy Storage and Catalysis”, invited talk given at 243rd Electrochemical Society Meeting, Boston, MA.

224. 3/29/2023: “Ionic Liquids for Carbon Capture”, in-person invited talk given at the ACS National Meeting, Indianapollis, IN, March 26-30, 2023.

223. 12/5/2022: “Understanding Nanocatalysis by Computation”, invited talk given at International Conference on Molecular Materials and Functions - 2022, IIT Madras, Chennai, India.

222. 12/2/2022: “Membranes, sorbents, and nanocatalysts: From design to deep learning”, seminar given at Department of Chemical and Biomolecular Engineering, National University of Singapore.

221. 11/4/2022: “Nano with Atomic Precision: Insights from Computation”, talk given at Nano Day, VINSE, Vanderbilt University.

220. 11/1/2022: “Case Studies of Machine Learning in Chemistry”, seminar given at Department of Chemistry, University of Akron, Ohio.

219. 10/17/2022: “Locating Hydrides in Ligand-Protected Metal Clusters by Deep Learning”, invited talk given at Gordon Research Conference on Atomically Precise Nanochemistry, Ventura, CA

218. 10/12/2022: “Case Studies of Machine Learning in Chemistry”, virtual given at the International Center for Chemical Theory (ICCT), University of Science and Technology of China, Hefei, China.

217. 10/7/2022: “Carbonaceous Membranes and Sorbents for Gas Separation: Insights from Simulations and Machine Learning”, invited talk given at Gordon Research Conference on Chemical Separations, Ventura, CA.

216. 9/12/2022: “Case Studies of Machine Learning in Chemistry”, department colloquium given at Department of Chemistry, Vanderbilt University.

215. 8/2/2022: “Insights into the MXene/water interface from first principles molecular dynamic”, plenary talk given at The 2nd International Conference at Drexel University, Philadelphia, PA.

214. 5/30/2022: “Proton Redox and Transport in Low-dimensional Materials for Energy Storage”, virtual invited talk given at International Conference on Frontier Materials 2022, May 27-31, 2022.

213. 3/23/2022: “Machine-learning approach to separations of rare-earth elements”, in-person invited talk given at the ACS National Meeting, San Diego, March 20-24.

212. 3/23/2022: “Computational insights into electrooxidation”, in-person invited talk given at the ACS National Meeting, San Diego, March 20-24.

211. 3/20/2022: “First principles molecular dynamics simulations of U(III) and U(IV) in Molten chlorides”, in-person invited talk given at the ACS National Meeting, San Diego, March 20-24.

210. 1/21/2022: “Membranes, sorbents, and nanocatalysts: From design to deep learnin”, virtual seminar given at Department of Chemical and Biomolecular Engineering, University of California, Irvine, CA.

209. 1/19/2022: “Membranes, sorbents, and nanocatalysts: From design to deep learnin”, in-person seminar given at Department of Chemical and Biomolecular Engineering, North Carolina State University, Raleigh, NC.

208. 1/10/2022: “Membranes, sorbents, and nanocatalysts: From design to deep learnin”, in-person seminar given at Department of Chemical and Biomolecular Engineering, Vanderbilt University, Nashville, TN.

207. 12/20/2021: “Single-Atom Catalysts for Methane Activation”, invited talk give at Pacifichem, Dec. 16-21, 2021, virtual.

206. 12/19/2021: “Convolutional Neural Networks for Porous Materials and Nanoparticles”, invited talk give at Pacifichem, Dec. 16-21, 2021, virtual.

205. 12/18/2021: “Understanding Proton Redox Energy Storage in MXenes”, invited talk give at Pacifichem, Dec. 16-21, 2021, virtual.

204. 12/17/2021: “Membranes, sorbents, and nanocatalysts: From design to deep learning”, virtual seminar given at College of Chemistry, Jilin University, Changchun, China.

203. 12/15/2021: “Understanding Nanocatalysis by Computation”, virtual seminar given at School of Materials Science and Engineering, Nankai University, China.

202. 11/8/2021: “Membranes, sorbents, and nanocatalysts: From design to deep learning”, in-person seminar given at Department of Chemistry, University of Washington, Seattle, WA.

201. 9/28/2021: “Understanding Nanocatalysis by Computation”, virtual seminar given Department of Physics and Texas Superconductor Center, University of Houston, Texas.

200. 9/10/2021: “Membranes, sorbents, and nanocatalysts: From design to deep learning”, virtual seminar given at Department of Chemical and Petroleum Engineering, University of Pittsburgh.

199. 8/24/2021: “Molecular simulations of U(III) and U(IV) in molten chlorides”, invited talk in Molten Salt Symposium (virtual) at the 262nd ACS National Meeting, August 22 - 26, 2021, Atlanta, GA.

198. 8/22/2021: “Locating hydrides in copper clusters by deep learning”, invited talk in the Accelerating Catalysis Research with Machine Learning symposium (virtual) at the 262nd ACS National Meeting, August 22 - 26, 2021, Atlanta, GA.

197. 8/16/2021: “Design of Porous Carbonaceous Membranes and Sorbents for Gas Separation”, invited talk at the IUPAC 48th World Chemistry Congress and 104th Canadian Chemistry Conference and Exhibition Virtual, Montreal, Quebec, Canada, August 13-20, 2021.

196. 6/28/2021: “Locating hydrides in metal clusters by convolutional neural networks”, in-person invited talk at the Telluride Workshop on Computational Materials Chemistry, 6/27-7/1/2021, Telluride, CO.

195. 11/10/2020: “Uranium in Ionic Solutions: From Seawater to Molten Salts”, Graduate Seminar (virtual) given at the Department of Nuclear, Plasma, and Radiological Engineering, UIUC.

194. 2/14/2020: “Understanding and Design of Materials for Energy and the Environment”, seminar given at Department of Physical & Environmental Sciences, TAMU Corpus Cristi, TX.

193. 1/29/2020: "Understanding Pseudocapacitive Energy Storage in MXenes", invited talk given at The 44th International Conference and Exposition on Advanced Ceramics and Composites, Jan. 26-31, Daytona Beach, FL.

192. 12/04/2019: “Nanoporous Graphene Membranes for Gas Separation—From Ion Gating to Molecular Tumbling”, invited talk given at the MRS Fall meeting, Dec. 1-6, Boston, MA.

191. 12/04/2019: “Nanometal for Hydrogen Evolution”, invited talk given the MRS Fall meeting, Dec. 1-6, Boston, MA.

190. 11/08/2019: “Understanding and Design of Materials by Computation”, seminar given at the Institute of Functional Nano & Soft Materials (FUNSOM), Soochow University, Suzhou.

189. 11/08/2019: “Understanding Nanocatalysis by Computation”, seminar given at Suzhou Research Institute of Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Suzhou.

188. 11/07/2019: “Understanding and Design of Materials for Energy and the Environment”, seminar given at School of Resources and Environment Engineering, East China University of Science and Technology, Shanghai.

187. 11/04/2019: “Atomically Precise Metal Nanoclusters for Electrocataysis”, invited talk given at the 5th International Conference on Molecular Simulation, Jeju, Korea, Nov. 3 - 6, 2019.

186. 9/21/2019: “Superatom under Pressure”, invited talk given at the International Symposium on Monolayer-Protected Clusters (ISMPC’19), Sep. 21-23, Xiamen University, Xiamen, China.

185. 9/10/2019: “Advanced Membranes for Gas Separation: Design, Simulation, and Guided Synthesis”, invited poster presented at 2019 DOE-BES Separations Program PI Meeting, Gaithersburg, MD.

185. 8/27/2019: “Understanding Oxygenate Conversion on Oxides from First Principles”, invited talk given at the 258th ACS National Meeting, San Diego, Aug. 25 - 29, 2019.

184. 8/27/2019: “Atomically Precise Metal Nanoclusters for Electrocataysis”, invited talk given at the 258th ACS National Meeting, San Diego, Aug. 25 - 29, 2019.

183. 8/26/2019: “Hydrogen in Catalysis and Catalysts”, invited talk given at the 258th ACS National Meeting, San Diego, Aug. 25 - 29, 2019.

182. 8/25/2019: “Understanding Molten Chlorides for Advanced Molten Salt Reactors through Computational Modeling”, invited talk given at the 258th ACS National Meeting, San Diego, Aug. 25 - 29, 2019.

181. 8/25/2019: “Understanding Pseudocapacitive Energy Storage in MXenes and Oxides”, invited talk given at the 258th ACS National Meeting, San Diego, Aug. 25 - 29, 2019.

180. 8/25/2019: “Incorporating the water layer in first principles simulations of hydrogen evolution on 1T-MoS2”, invited talk given at the 258th ACS National Meeting, San Diego, Aug. 25 - 29, 2019.

179. 8/21/2019: “Understanding Atomically Precise Nanoalloys for Electrocataysis”, invited talk at the XXVIII International Materials Research Congress, Cancun, Mexico.

178. 8/15/2019: “Understanding and Designing Materials for Energy by Computation”, seminar given at College of Physics, Jilin Univ., Changchun, China.

177. 8/12/2019: “Pore Size Control in 2D Membranes for Gas Separations”, invited talk at the 111 Project Workshop on New Perspectives of Functional Nanoporous Materials, Changchun, China.

176. 7/30/2019: “Heterostructured Electrode Materials for Pseudocapacitive Energy Storage”, poster presented at the 2019 Energy Frontier Research Centers Principal Investigators' Meeting, DC.

175. 7/18/2019: “Proton Transport in Electrode-Confined Water for Pseudocapacitance”, invited talk at the Telluride Workshop on Computational Materials Chemistry, 7/16-20/2019, Telluride, CO.

174. 6/24/2019: “Understanding the MXene Pseudocapacitance”, seminar given at Photovoltaic Center, Ningxia University, Yinchuan, China.

173. 6/20/2019: “Understanding and Designing Materials for Energy by Computation”, seminar given at China University of Electronics Science and Technology, Chengdu, China.

172. 3/31/2019: “Simulations of Separation Media and Processes”, invited talk given at the 257th ACS National Meeting & Exposition, Orlando, FL, Mar. 31 - Apr. 4, 2019.

171. 3/21/2019: “Understanding nanocatalysis by computation”, seminar given at Department of Chemistry, Boston College.

170. 2/13/2019: “Nano with Atomic Precision”, seminar given at Department of NanoEngineering, University of California San Diego.

169. 11/29/2018: “Descriptors for Transition-Metal Oxides and Implications in Selective Catalysis”, invited talk given at 2018 Materials Research Society Fall Meeting, Boston, MA, Nov. 25-30, 2018.

168. 10/25/2018: “Understanding nanocatalysis by computation”, seminar given at Department of Chemistry, University of Texas at Austin.

167. 8/22/2018: “Atomically precise metal nanoclusters for water splitting and CO2 reduction”, invited talk given the 256th ACS National Meeting & Exposition, Boston, MA, Aug. 19 - 23, 2018.

166. 8/20/2018: “Atomic-level control: From single atom to one-atom-thin interface”, invited talk given the 256th ACS National Meeting & Exposition, Boston, MA, Aug. 19 - 23, 2018.

165. 7/25/2018: “Understanding the MXene Pseudocapacitance”, invited talk at the Telluride Workshop on Interfacial Chemistry and Charge Transfer for Energy Storage and Conversion, 7/23/2016-7/27/2016, Telluride, CO.

164. 7/14/2018: “Hydrogen in Nanometal”, invited talk given at the International Conference on Chemical Bonding (ICCB-2018), Kauai, HI.

163. 6/26/2018: “Understanding and designing materials from computation”, seminar given at College of Chemistry and Chemical Engineering, Henan Normal Univ., Xinxiang, China.

162. 6/24/2018: “Novel design of 2D membranes for gas separations”, plenary talk given at the 11th Computational Nanoscience and New Energy Materials (CNNEM) International Conference 2018, June 23-26, 2018, Xinxiang, Henan, China.

161. 6/22/2018: “In Silico Materials Chemistry”, seminar given at School of Chemical Science and Engineering, State Key Laboratory of High-Efficiency Utilization of Coal and Green Chemical Engineering, Ningxia University, Yinchuan, China.

160. 6/20/2018: “In Silico Materials Chemistry”, the 203rd Shouheng Lecture, College of Chemical Engineering, Zhejiang University of Technology, Hangzhou, China.

159. 5/8/2018: “In Silico Materials Chemistry”, special seminar given at University of New Mexico, Albuquerque, NM.

158. 5/7/2018: “Atomistic Insights into Seawater Uranium Extraction from Molecular Dynamics Simulations”, invited seminar Center for Nonlinear Studies, Los Alamos National Laboratory, Los Alamos, NM.

157. 3/18/2018: “Global minimization and energy landscape of metal nanoclusters from first principles”, invited talk given at the 255th ACS National Meeting, New Orleans, LA, March 18-22, 2018.

156. 2/6/2018: “Computational Insights into Novel Membranes and Sorbents for Gas Separations”, invited poster presented at the 2018 DOE-BES Separation Science PI Meeting, Gaithersburg, MD, Feb. 6-7, 2018.

155. 2/4/2018: “Catalysis by Atomically Precise Nanoclusters”, talk given the 2018 Mesilla Workshop on Interplay between Theory and Experiment in Nanocatalysis, Mesilla, NM, 2/3 - 2/7, 2018.

154. 12/22/2017: “In Silico Materials Chemistry”, seminar given at Institute of Metal Research, Chinese Academy of Sciences, Shenyang, China.

153. 12/19/2017: “In Silico Materials Chemistry”, seminar given at College of Chemistry, Jilin University, Changchun, China.

152. 9/21/2017: “In Silico Materials Chemistry”, seminar given at Department of Chemistry, Renmin University of China.

151. 9/21/2017: “Understanding Catalysis by Nanoclusters”, talk given at the 8th International Conference on Theory of Atomic & Molecular Clusters, Beijing, China.

150. 9/20/2017: “In Silico Materials Chemistry”, seminar given at School of Chemistry and Chemical Engineering, Beijing Institute of Technology.

149. 9/8/2017: “In Silico Materials Chemistry”, seminar given at College of Environmental and Energy Engineering, Beijing University of Technology.

148. 9/7/2017: “Atomistic Insights into Seawater Uranium Extraction from Molecular Dynamics Simulations”, talk given at the 603th Xiangshan Science Conference on Future Development of Seawater Uranium Recovery in China, Beijing, 9/7/2017-9/8/2017.

147. 8/14/2017: “Atomic Hydrogen in Monolayer-Protected Clusters and Electrocatalysis”, keynote talk given at the International Symposium on Monolayer-Protected Clusters (ISMPC’17), 8/13/2017-8/16/2017, Monte Verita, Switzerland

146. 8/8/2017: “Chemical Functionalization of 2D Materials and Electrocatalysis”, invited talk at the Telluride Workshop on Computational Materials Chemistry, 8/07/2017-8/11/2017, Telluride, CO.

145. 7/25/2017: “Understanding Capacitive Energy Storage by Modeling”, lecture given at Computational Chemistry and Materials Science Summer Institute, Lawrence Livermore National Laboratory, Livermore, CA.

144. 7/24/2017: “Computational methods in materials chemistry”, lecture given at Computational Chemistry and Materials Science Summer Institute, Lawrence Livermore National Laboratory, Livermore, CA.

143. 7/17/2017: “In Silico Materials Chemistry”, seminar given at Department of Chemical and Biomolecular Engineering, National University of Singapore.

142. 7/14/2017: “Computer Simulations of Uranium Extraction from Seawater”, Shanghai Institute of Applied Physics, Chinese Academy of Science, Shanghai, China.

141. 7/13/2017: “Computational Heterogenous Catalysis”, College of Chemistry, Nanchang University, Nanchang, China.

140. 7/9/2017: “Hydrogen in Nanometal”, keynote talk given at the Chinese Materials Conference, July 6 - 12, 2017, Yinchuan, China.

139. 6/27/2017: “In Silico Materials Chemistry”, Department of Chemistry, Tsinghua University, Beijing, China.

139. 6/27/2017: “In Silico Materials Chemistry”, Institute of High-Energy Physics, Chinese Academy of Science, Beijing, China.

138. 4/18/2017: “Understanding Catalysis by Transition-Metal Oxides from First Principles”, talk given at the MRS 2017 Spring Meeting, Apr. 17 - Apr. 21, Phoenix, AZ.

137. 2/23/2017: “Understanding functional materials for catalysis”, plenary talk given at the 57th Sanibel Symposium, 2/19/2017-2/24/2017, St. Simons Island, GA.

136. 12/1/2016: “Subnanometer Metal Clusters as Catalysts: A Computational Perspective”, talk given the MRS 2016 Fall Meeting, Nov. 28 - Dec. 2, Boston, MA.

135. 10/19/2016: “In Silico Materials Chemistry”, Department Colloquium, Department of Chemistry, University of California, Riverside, CA.

134. 9/7/2016: “Understanding and Designing Materials by Computation”, science seminar given at University of La Verne, La Verne, CA.

133. 8/24/2016: “Insights into uranium speciation and extraction from the sea”, talk given at the 252nd American Chemical Society National Meeting, August 21 - 25, 2016, Philadelphia, PA.

132. 8/24/2016: “Computational insights into catalysis by ligand-protected nanoclusters”, talk given at the 252nd American Chemical Society National Meeting, August 21 - 25, 2016, Philadelphia, PA.

131. 8/22/2016: “From Electric Double-Layer to Pseudocapacitance: A Joint DFT Approach”, talk given at the 252nd American Chemical Society National Meeting, August 21 - 25, 2016, Philadelphia, PA.

130. 7/28/2016: “Understanding Capacitive Energy Storage”, invited talk at the Telluride Workshop on Interfacial Chemistry and Charge Transfer for Energy Storage and Conversion, 7/25/2016-7/29/2016, Telluride, CO.

129. 7/8/2016: “In Silico Materials Chemistry”, distinguished seminar at CSIRO/Monash-Univ, Clayton, Australia.

128. 7/6/2016: “Understanding Supercapacitors”, invited talk at Australian symposium on Computationally Enhanced Materials Design – ACEMD, UNSW, Sydney.

127. 6/25/2016: “Advances in Nanoclusters”, keynote talk given at the Computational Nanoscience and New Energy Materials (CNNEM) International Conference 2016, June 22-26, 2016, Shanghai University, Shanghai, China.

126. 6/21/2016: “In Silico Materials Chemistry”, seminar at College of Chemistry and Materials Science, Nanjing Normal University, Nanjing, China.

125. 6/8/2016: “In Silico Materials Chemistry”, seminar at Department of Chemistry, Oregon State University.

124. 5/17/2016: “In Silico Materials Chemistry”, seminar at Department of Chemistry & Biochemistry, University of California, San Diego.

123. 4/23/2016: “In Silico Materials Chemistry”, seminar at School of Natural Sciences, University of California, Merced.

122. 4/13/2016: “In Silico Materials Chemistry”, seminar at Department of Chemistry, University of Washington, Seattle.

121. 4/11/2016: “In Silico Materials Chemistry”, seminar at Department of Chemistry, Florida State University, Tallahassee.

120. 4/8/2016: “In Silico Materials Chemistry”, seminar at Department of Chemistry, University of Central Florida, Orlando.

119. 4/7/2016: “In Silico Materials Chemistry”, seminar given at Department of Chemistry, University of South Florida, Tampa.

118. 4/6/2016: “In Silico Materials Chemistry”, seminar given at the Quantum Theory Project, University of Florida, Gainesville.

117. 3/31/2016: “Computational Materials Chemistry for Carbon Capture”, talk given the MRS 2016 Spring Meeting, March 28 - April 1, Phoenix, AZ.

116. 3/17/2016: “Understanding Capacitive Energy Storage”, talk given at the 251st American Chemical Society National Meeting, March 13 - 17, 2016, San Diego, CA.

115. 3/17/2016: “Insights into Energy-Efficient Gas Separation”, talk given at the 251st American Chemical Society National Meeting, March 13 - 17, 2016, San Diego, CA.

114. 3/16/2016: “Chemical Functionalization and Hydrogen Evolution Mechanism on 1T-MoS2”, talk given at the 251st American Chemical Society National Meeting, March 13 - 17, 2016, San Diego, CA.

113. 3/13/2016: “Subnanometer Clusters from a Computational Perspective”, talk given at the 251st American Chemical Society National Meeting, March 13 - 17, 2016, San Diego, CA.

112. 1/31/2016: “Understanding Electrochemical Double-Layer Capacitors”, talk given at the Mesilla Workshop, Jan. 31 - Feb. 2, 2016, Mesilla, NM.

111. 12/18/2015: “Understanding electric energy storage by supercapacitors”, talk given at the Pacifichem 2015, Dec. 15-20, 2016, Honolulu, HI.

110. 12/16/2015: “Understanding catalysis by ligand-protected nanoclusters”, talk given at the Pacifichem 2015, Dec. 15-20, 2016, Honolulu, HI.

109. 9/17/2015: “Materials Chemistry from a Computational Perspective”, seminar given at Department of Chemistry & Biochemistry, California State Univ., Long Beach.

108. 8/21/2015: “Electronic and Magnetic Properties of Molecular-Like Gold Nanoclusters”, talk given at the 250th American Chemical Society National Meeting, Aug. 16-21, 2015, Boston, MA.

107. 8/17/2015: “Understanding Supercapacitors”, talk given at the 250th American Chemical Society National Meeting, Aug. 16-21, 2015, Boston, MA.

106. 7/15/2015: “Spin-orbit coupling, real ligands, and the PhCC-Au interface”, talk given at the International Symposium on Monolayer-Protected Clusters (ISMPC15), July 14-16, 2015, Yamanashi, Japan.

105. 7/06/2015: “A New Paradigm for Monolayer-Protected Metal Nanoclusters: The Alkynyl Ligand”, talk given at the International Conference on Chemical Bonding, July 2-6, 2015, Kauai, HI.

104. 7/01/2015: “Nanomaterials from a Computational Perspective”, talk given at the 8th International Conference on Materials for Advanced Technologies (ICMAT), June 28 - July 3, 2015, Singapore.

103. 6/23/2015: “First principles structure prediction for metal clusters”, talk given at the Telluride Workshop on Computational Materials Chemistry, June 23-27, Telluride, CO

102. 6/19/2015: “Understanding and Designing Materials by Computation”, seminar given at Department of Physics, Fudan University, Shanghai, China.

101. 6/18/2015: “Understanding and Designing Materials by Computation”, seminar given at Department of Chemistry, Shanghai University, Shanghai, China.

100. 6/17/2015: “Understanding and Designing Materials by Computation”, seminar given at College of Chemistry and Chemical Engineering, Anhui University, Hefei, China.

99. 6/15/2015: “Stabilization and Band-Gap Tuning of 1T-MoS2 Monolayer by Covalent Functionalization”, keynote talk given at the Advances in Modeling of Nano Materials symposium, June 15-16, 2015, USTC, Hefei, China.

98. 3/24/2015: “Understanding Electric Double-Layer Capacitors”, talk given at the 249th American Chemical Society National Meeting, March. 22-26, 2015, Denver, CO.

97. 3/22/2015: “What can Molecular Simulation Do for Global Warming?”, keynote talk given at the 249th American Chemical Society National Meeting, March. 22-26, 2015, Denver, CO.

96. 3/18/2015: “Understanding and Designing Materials by Computation”, seminar given at Department of Chemistry and Biochemistry, Utah State University, Logan, UT.

95. 1/09/2015: “Understanding and Designing Materials by Computation”, seminar given at Department of Chemical and Biomolecular Engineering, National University of Singapore.

94. 1/09/2015: “Defects in Carbon and their Functional Roles”, talk given at the 9th International Conference on Computational Physics (ICCP9), Singapore.

93. 12/15/2014: “Understanding and Designing Materials by Computation”, seminar given at Division of Physical Sciences and Engineering, King Abdullah University of Science and Technology (KAUST), Saudi Arabia.

92. 11/21/2014: “From Thiolated Gold to Organogold: Interface, Structure, and Property from First Principles”, seminar given at Department of Applied Chemistry, Tokyo University of Science, Tokyo, Japan.

91. 11/20/2014: “From Thiolated Gold to Organogold: Interface, Structure, and Property from First Principles”, seminar given at Department of Chemistry, University of Tokyo, Tokyo, Japan.

90. 11/18/2014: “Porous Organic Materials and Ionic Liquids for Carbon Capture”, talk given at International Conference of Electronic Materials and Nanotechnology for Green Environment 2014, Jeju, Korea.

89. 11/14/2014: “Understanding and Designing Materials by Computation”, seminar given at Department of Chemistry, Yonsei University, Seoul, Korea.

88. 11/7/2014: “Understanding and Designing Materials by Computation”, seminar given at Department of Physics and Astronomy, California State University, Northridge, CA.

87. 10/30/2014: “Understanding and Designing Materials by Computation”, seminar given at School of Materials Science and Engineering, University of Shanghai for Science and Technology, Shanghai, China.

86. 10/30/2014: “Understanding and Designing Materials by Computation”, seminar given at Department of Physics, Shanghai University, Shanghai, China.

85. 10/29/2014: “Understanding and Designing Materials by Computation”, seminar given at State Key Laboratory of Chemical Engineering, East China University of Science and Technology, Shanghai, China.

84. 10/28/2014: “The expanding universe of thiolated gold nanoclusters and beyond”, seminar given at College of Chemistry, Xiamen University, Xiamen, China.

83. 10/27/2014: “Structure prediction for molecule-like metal clusters”, talk given at Second International Conference of Young Researchers on Advanced Materials, Haikou, China.

82. 10/20/2014: “Understanding and Designing Materials by Computation”, seminar given at Department of Chemistry & Biochemistry, UCLA.

81. 10/16/2014: “Understanding and Designing Materials by Computation”, seminar given at Department of Chemistry & Biochemistry, California State Univ. San Bernardino.

80. 10/10/2014: “What can Molecular Simulation do for Global Warming?”, seminar given at Department of Chemistry, Middle Tennessee State University, Murfreesboro, TN.

79. 8/14/2014: “Understanding supercapacitors”, talk given at the 248th American Chemical Society National Meeting, Aug. 10-14, 2014, San Francisco, CA.

78. 8/13/2014: “Carbonaceous Materials as CO2 Adsorbent: Design and Simulation”, talk given at the 248th American Chemical Society National Meeting, Aug. 10-14, 2014, San Francisco, CA.

77. 8/13/2014: “Insights into molecular transport through graphene and graphene-oxide membranes from simulation”, talk given at the 248th American Chemical Society National Meeting, Aug. 10-14, 2014, San Francisco, CA.

76. 7/14/2014: “Computational Study of Battery Electrolytes”, talk given at the Telluride Workshop on Battery Materials, Telluride, CO.

75. 6/05/2014: “Modeling the electrode/electrolyte interface in batteries and capacitors”, talk given at Beyond Li Ion VII, Argonne National Laboratory, IL.

74. 5/30/2014: “Understanding Supercapacitors”, talk given at College of Chemistry and Molecular Engineering, Peking University, China.

73. 5/29/2014: “Understanding Supercapacitors”, talk given at College of Chemistry, Nankai University, China.

72. 5/27/2014: “Atomically Precise Gold Nanoclusters: Structure, Property, and Catalysis”, talk given at International Symposium on Advances in Computational Materials for Catalysis and Photovoltaics, Tianjin University, China.

71. 3/20/2014: “Structure prediction for molecule-like metal clusters“, talk given at ACS National Meeting 2014 Spring, Dallas, TX.

70. 3/12/2014: “Understanding Supercapacitors”, Chemistry and Materials Seminar, Oak Ridge National Lab, TN.

69. 2/19/2014: “Understanding Capacitance Variation with the Pore Size in Electric Double-layer Capacitors”, talk given at The Minerals, Metals & Materials Society 143rd Annual Meeting (TMS 2014), San Diego, CA.

68. 2/4/2014: “Understanding and Designing Materials from First Principles”, seminar given at Department of Chemistry, University of California, Riverside.

67. 1/31/2014: “Understanding and Designing Materials from First Principles”, seminar given at Department of Chemistry and Biochemistry, Southern Illinois University, Carbondale, IL.

66. 1/28/2013: “Insights into Nano Gold, Energy Storage, and Gas-Separation Membranes from Computational Chemistry”, seminar given in Department of Chemistry, New York University.

65. 12/29/2013: “Insights into Nano Gold, Energy Storage, and Gas-Separation Membranes from Computation”, seminar given in School of Materials Science and Engineering, Huazhong University of Science and Technology, Wuhan, China.

64. 12/28/2013: “Electrolyte/Graphite Interface in Lithium-ion Batteries”, talk given in Materials & Environment Session of East Lake International Forum for Outstanding Overseas Young Scholars, Huazhong University of Science and Technology, Wuhan, China.

63. 12/28/2013: “Understanding and Designing Materials for Energy and the Environment”, Plenary talk given at East Lake International Forum for Outstanding Overseas Young Scholars, Huazhong University of Science and Technology, Wuhan, China.

62. 12/12/2013: “Insights into Nano Gold, Energy Storage, and Gas-Separation Membranes from Computational Chemistry”, seminar given in Department of Chemistry, Virginia Tech.

61. 10/25/2013: “The smallest member of thiolated gold nanoclusters”, talk given at International Symposium of Nanostructures and their Applications in Renewable Energy (ISNARE), Beijing, China.

60. 10/24/2013: “Electrode/electrolyte interface in electrochemical energy storage: From supercapacitors to Li-ion batteries”, seminar presented at Division of Molecular and Materials Simulation, State Key Laboratory of Organic-Inorganic Composites, Beijing University of Chemical Technology, China.

59. 10/22/2013: “A classical density functional theory approach to understanding capacitive energy storage”, invited talk presented in The 12th National Symposium of Computational Chemistry in China, Suzhou, China.

58. 10/19/2013: “Electrode/electrolyte interface in electrochemical energy storage: From supercapacitors to Li-ion batteries”, seminar presented at College of Chemical Engineering, Nanjing University of Science and Technology, China.

57. 10/17/2013: “Microscopic Insights into Gas Separation, Catalysis, and Energy Storage from Simulation”, Fuels, Engines, and Emissions Research Center, Oak Ridge National Lab.

56. 10/04/2013: “The expanding universe of thiolated gold nanoclusters and beyond”, Department of Chemistry, East Tennessee State University.

55. 9/11/2013: “Graphene-based membrane and porous materials for gas separation”, 246th American Chemical Society National Meeting, Indianapolis, Indiana.

54. 9/08/2013: “Capacitance dependence on the pore size in electric double-layer capacitors”, 246th American Chemical Society National Meeting, Indianapolis, Indiana.

53. 8/01/2013: “The smallest member of thiolated gold nanoclusters”, talk given at the International Symposium on Monolayer Protected Clusters 2013 (ISMPC13), Pingree Park Campus, Colorado State University, Fort Collins, CO.

52. 7/15/2013: “Electrode/electrolyte interface in electrochemical energy storage: From supercapacitors to Li-ion batteries”, seminar presented at Institute for Natural Sciences, Shanghai Jiao Tong University, China.

51. 6/25/2013: "Electrode/electrolyte interface in electrochemical energy storage: From supercapacitors to Li-ion batteries", seminar presented at Pacific Northwest National Laboratory, Richland, WA.

50. 4/17/2013: "Understanding Capacitance Variation with the Pore Size in Electric Double-Layer Capacitors by Classical Density Functional Theory", seminar presented at Department of Chemistry, Rice University, Houston, TX.

49. 4/2/2013: "Microscopic insights of ionic liquids in separations and energy storage", talk given at the 2013 MRS Spring Meeting, San Francisco, CA.

48. 2/21/2013: "From Benzene to Graphene and Things in between", seminar presented at Department of Chemistry, Boston College, Chestnut Hill, MA.

47. 11/4/2012: "Understanding and Designing Materials for Energy and the Environment", poster presented at 2012 U.S. Kavli Frontiers of Science Symposium, National Academy of Sciences, Irvine, CA.

46. 8/20/2012: "Graphene/electrolyte interface in electrochemical energy storage: From supercapacitors to Li-ion batteries", 244th American Chemical Society National Meeting, Philadelphia, Pennsylvania.

45. 3/15/2012: “Molecular Metallurgy of Gold from First Principles." Department of Chemistry seminar, Carnegie Mellon University, Pittsburgh, USA.

45. 2/24/2012: “Molecular Metallurgy of Gold from First Principles." Department of Chemistry seminar, Xiangtan University, Xiangtan, China.

44. 2/23/2012: "Fundamentals of Electrical Energy Storage from a Computational Perspective," Hefei National Laboratory for Physical Sciences at Microscale seminar, University of Science and Technology of China, Hefei, China.

43. 2/22/2012: “What can Molecular Simulation Do for Global Warming?" College of Chemical Engineering seminar, Nanjing University of Science and Technology, Nanjing, China.

42. 2/21/2012: “A first principles approach to separations, catalysis, and interface," School of Chemistry and Chemical Engineering, Nanjing University, Nanjing, China.

41. 2/06/2012: “What can Molecular Simulation Do for Global Warming?" Department of Chemistry seminar, University of Puerto Rico, San Juan, PR.

40. 11/2/2011: "Catalysis and Energy Storage from a Computational Perspective", Conference on Computational Physics (CCP) 2011, Gatlinburg, TN.

39. 9/16/2011: “What can Molecular Simulation Do for Global Warming?" Department of Chemistry seminar, University of Tennessee, Chattanooga, TN.

38. 9/8/2011: “Molecular Metallurgy of Gold from First Principles." Department of Chemistry seminar, University of Tennessee, Knoxville, TN.

37. 8/28/2011: "Exploration of energy landscape of nanoclusters and their interaction with the support by density functional theory enabled basin hopping", 242nd American Chemical Society National Meeting, Denver, Colorado.

36. 7/28/2011: “Understanding and Predicting Gold Nanoclusters by Simulated Annealing, Basin Hopping, and Combinatorics", Gordon Research Conference on Clusters, Nanocrystals & Nanostructures, South Hadley, MA.

35. 7/13/2011: “Graphene Research: An Oak Ridge Perspective", Chemistry and Materials Seminar, Oak Ridge National Laboratory, Oak Ridge, Tennessee.

34. 5/29/2011: “What can Quantum Chemistry Do for Global Warming?" Talk given at the 11th National Conference of Quantum Chemistry, Hefei, China.

33. 5/26/2011: “Molecular Metallurgy of Gold from First Principles." Talk given at Institute of Metal Research, Chinese Academy of Sciences, Shenyang, China.

32. 5/25/2011: “A First Principles Approach to Surface Chemistry." Talk given at Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, China.

31. 5/24/2011: “What can Molecular Simulation Do for Global Warming?" Talk given at Faculty of Chemical Engineering, China University of Petroleum, Beijing, China.

30. 5/23/2011: “A First Principles Approach to Separation, Catalysis, and Interface." Talk given at College of Chemistry, Peking University, Beijing, China.

29.  1/18/2011: “Chemical and Physical Properties of Graphene from First Principles." Talk given at Savannah River National Laboratory, Aiken, S.C.

28.  12/23/2010: “Understanding Thiolate-protected Gold Nanoparticles from First Principles." Talk given at College of Chemistry and Chemical Engineering, Shenzhen University, Shenzhen, China.

27.  12/22/2010: “Properties of Graphene and Graphene Ribbons." Talk given at Department of Physics, Sun Yat-sen University, Guangzhou, China.

26.  10/22/2010: “Understanding and Designing Gas-separation Media by Computation." Talk given at Department of Chemistry, Zhejiang University, Hangzhou, China.

25.  10/21/2010: “Chemical and Physical Properties of Graphene from First Principles." Talk given at Functional Nano & Soft Materials Laboratory, Soochow University, Suzhou, China.

24.  10/20/2010: “Gold and Graphene Nanosystems from First Principles." Talk given at Department of Physics, Southeast University, Nanjing, China.

23.  10/19/2010: “Understanding Thiolate-protected Gold Nanoparticles from First Principles." Talk given at College of Chemistry and Chemical Engineering, Shandong University, Jinan, China.

22.  10/16/2010: “Structures and Properties of Nanosystems from First Principles." Talk given at the Third Workshop on Computational Nanoscience and New Energy Materials (CNNEM-2010), Tai'an, China.

21.  10/15/2010: “Understanding and Designing Gas-separation Media by Computation." Talk given at Institute of New Energy Material Chemistry, Nankai University, Tianjin, China.

20.  10/14/2010: “Understanding Thiolate-protected Gold Nanoparticles from First Principles." Talk given at College of Engineering, Peking University, Beijing, China.

19.  08/05/2010: “Chemistry and physics of graphene from first principles.” Talk given at Department of Chemistry, National University of Singapore, Singapore.

18.  08/04/2010: “Chemistry and physics of graphene from first principles.” Talk given at Division of Materials Sciences, Nanyang Technological University, Singapore.

17.  03/26/2010: “From gold nanoclusters to nanographenes: A density functional theory approach.” Talk given at Department of Chemistry, University of Texas, San Antonio, TX. (View the slides; ~5.5 MB)

16.  03/19/2010: “From gold nanoclusters to nanographenes: A density functional theory approach.” Talk given at Department of Chemistry, University of Texas, Dallas, TX.

15.  03/05/2010: “Understanding and predicting thiolated gold nanoclusters from first principles.” Talk given at Department of Chemistry, Georgia State University, Atlanta, GA.

14.  10/2009: “Understanding and predicting thiolated gold nanoclusters from first principles.” Talk given at Department of Chemistry and Biochemistry, University of Mississippi, University, MS. (See the slides; ~4MB)

13.  10/2009: “Nanomaterials Chemistry.” Talk given at Department of Chemistry, Tennessee Technological University, Cookeville, TN.

12.  08/2009: “Discovering thiolated gold from first principles.” Talk given at the 238th American Chemical Society National Meeting, Washington, DC.

11.  09/2008: “From nanographenes to gold nanoclusters: A density functional theory approach.” Theoretical Catalysis and Molecular Simulation Group, Department of Chemistry, Fudan University, Shanghai, China.

10.  09/2008: “Properties of p-electrons in nanographenes.” International conference on Theory and Applications of Computational Chemistry (TACC) 2008, Sep. 23 - 27, Shanghai, China.

9.   09/2008: “First principles study of thiolate-protected Au38 nanoclusters.” International Symposium on Monolayer-Protected Clusters ISMPC08, Sep. 12 - 13, University of Jyväskylä, Finland.

8.   04/2008: “From nanographenes to gold nanoclusters: A density functional theory approach.” Department of Chemistry, Tsinghua University, Beijing, China.

7.   04/2008: “Applications of density functional theory from nanographenes to gold nanoclusters.” Department of Chemistry, Renmin University of China, Beijing, China.

6.   04/2008: “From nanographenes to gold nanoclusters: A density functional theory approach.” College of Chemistry and Molecular Engineering, Peking University, Beijing, China.

5.   04/2008: “From nanographenes to gold nanoclusters: A density functional theory approach.” College of Chemistry, Jilin University, Changchun, China.

4.   04/2008: “Interesting chemistry and physics of nanographenes from first principles.” Polymer Physics Seminar, Department of Chemistry, University of Massachusetts Lowell, MA.

3.  03/2007: “The chemical reactivity of a nano graphene ribbon’s zigzag edge.” Talk given at the 233rd American Chemical Society National Meeting, Chicago, IL.

2.   04/2005: “Chemistry of iron surfaces and interfaces from first principles.” Talk given at Oak Ridge National Laboratory, Oak Ridge, TN.

1.   11/2004: “Chemistry of iron surfaces and interfaces from first principles.” Talk given at ExxonMobil Research and Engineering Company, Annandale, NJ. 



Contributed Presentations

                                                                 

49. 07/2019: “H in Nanometal”, poster given at the Gordon Research Conference on the H-Metal Systems, Castelldefels, Spain, June 30 - July 5, 2019.

48. 11/26/2018: “Overview of the Ligand-Gold Interfaces and the Case of the N-Heterocyclic Carbenes”, contributed talk given at 2018 Materials Research Society Fall Meeting, Boston, MA, Nov. 25-30, 2018.

47. 4/4/2018: “Ion-gated porous graphene membranes for gas separations”, a contributed talk given at the “Advanced Materials for Carbon Capture and Other Important Separations” Symposium, 2018 Materials Research Society Spring Meeting, Phoenix, AZ, April 2-6, 2018.

46. 8/15/2016: “Get real with ligands”, a hot-topic talk given at the18th International Symposium on Small Particles and Inorganic Clusters (ISSPIC-XVIII) in Jyväskylä, Finland.

45. 8/16/2015: “Physical Chemistry of Clusters and Nanoparticles”, talk given at Phys Division Undergraduate Symposium, the 250th American Chemical Society National Meeting, Aug. 16-21, 2015, Boston, MA.

44. 4/9/2015: “Effect of Spin-Orbit Coupling on the Optical Absorption of the Au25 Cluster”, talk given at the MRS 2014 Spring Meeting, San Francisco, CA.

43. 2/10/2015: “Insights into the PhC≡C/Au Interface”, poster presented at the Gordon Research Conference on “Chemical Reactions at Surfaces”, Feb. 8-12, 2015, Ventura, CA.

42. 10/26/2014: “Understanding supercapacitors”, talk given at Second International Conference of Young Researchers on Advanced Materials, Haikou, China.

41. 08/10/2014: “Ionic liquids for carbon capture”, talk given at the 248th American Chemical Society National Meeting, Aug. 10-14, 2014, San Francisco, CA.

40. 07/2014: “Understanding Electric Double-Layer Capacitors”, talk given at International Center for Materials Research (ICMR) Workshop on Ab-initio description of charged systems and solid/liquid interfaces for semiconductors and electrochemistry, UCSB, Santa Barbara, CA.

39. 04/2014: “Understanding Porous Graphene and Ionic Liquids for Gas Separation by Simulation”, poster presented at U.S. Department of Energy Office of Science, Office of Basic Energy Sciences (BES) Separations and Analysis Research PI Meeting Gaithersburg, MD, April 27 – April 29, 2014.

38. 04/2014: “One-atom-thin Membrane for Separation of CO2”, talk given at the MRS 2014 Spring Meeting, San Francisco, CA.

37. 09/2012: “Structures and Energetics of Pt Clusters on TiO2: Interplay between Metal-Metal Bonds and Metal-Oxygen Bonds.” Talk given at the 2012 Annual Symposium of the Southeastern Catalysis Society, Asheville, NC.

36. 04/2012: “Advanced ionic liquids and carbon-based materials for capture of carbon dioxide.” Talk given at the US Department of Energy Basic Energy Sciences Separations and Analysis PI Meeting, Annapolis, MD.

35. 3/2012: "Functionalized sulfone solvents for high-voltage Li-ion batteries: A computational study." Poster presented at the Gordon Research Conference on Batteries, Ventura, CA.

35. 1/2012: "Oscillation of Capacitance inside Nanopores." Poster presented at the Gordon Research Conference on Electrochemistry, Ventura, CA.

34. 10/2011: “Metal-Support Interaction from First Principles Global Minimization.” Poster presented at the US Department of Energy Basic Energy Sciences Catalysis Program Contractors’ Meeting, Annapolis, MD.

33. 09/2011: “Interaction between Gold Clusters and a Hydroxylated Support: A View from Computational Global Minimization.” Talk given at the 2011 Annual Symposium of the Southeastern Catalysis Society, Asheville, NC.

32. 04/2011: “Functional Porous Graphene for Gas Separation: A First Principles Perspective.” Talk given at the Materials Research Society 2011 Spring Meeting, San Francisco, CA.

31. 02/2011: “The Role of Low-Coordinate Oxygen on Co3O4(110) in Catalytic CO Oxidation.” Poster presented at the Gordon Research Conference on Chemical Reactions at Surfaces, Ventura, CA.

30. 09/2010: “The Role of Low-coordinate Oxygen on Co3O4(110) in Catalytic Oxidation of CO.” Poster presented at the 2010 Annual Symposium of the Southeastern Catalysis Society, Asheville, NC.

29. 08/2010: “From benzene to graphene and things in between.” Poster presented at Engineering Conference International: Recent Advances in Graphene and Related Materials, Singapore.28. 07/2010: “Porous Graphene as the Ultimate Membrane for Gas Separation.” Poster presented at Gordon Research Conference on "Membranes: materials and processes", New London, NH.

27. 07/2010: “Porous Graphene as the Ultimate Membrane for Gas Separation.” Poster presented at Gordon Research Seminar on "Membranes: materials and processes", New London, NH.

26. 06/2010: “Why is Co3O4 so Catalytically Active in Oxidizing CO?” Poster presented at Gordon Research Conference on Catalysis, New London, NH.

25. 12/2009: "Computational Design of Porous Graphene for Gas Separation.” Talk given at the 5th Worldwide Chinese Theoretical and Computational Chemistry Conference (WCTCC), Xiamen, China.

24. 12/2009: "Understanding the graphene/Ru(0001) interface.” Poster presented at the 5th Worldwide Chinese Theoretical and Computational Chemistry Conference (WCTCC), Xiamen, China.

23. 10/2009: “Porous Graphene as the Ultimate Membrane for Gas Separation.” Poster presented at the 16th Symposium on Separation Science & Technology for Energy Applications, Gatlinburg, TN. (See the poster; ~1.3 MB)

22. 09/2009: “Superatomic thiolated gold nanoclusters.” Talk given at the 2009 Annual Symposium of the Southeastern Catalysis Society, Asheville, NC.

21. 08/2009: "From benzene to graphene and things in between.” Talk given at the 238th American Chemical Society National Meeting, Washington, DC.

20. 08/2009: "Understanding the graphene/Ru(0001) interface.” Poster presented at the 238th American Chemical Society National Meeting, Washington, DC.

19. 04/2009: “Chemistry of Novel Separation: Molecular Dynamics Simulations of Separation Media.” Talk given at the US Department of Energy Separations-Heavy Element Chemistry Contractors’ Meeting, Warrenton, VA.

18. 11/2008: “First principles study of thiolate-protected Au38 nanoclusters.” Talk given at the 60th Southeastern Regional Meeting of the American Chemical Society (SERMACS 2008), Nashville, TN.

17. 09/2008: “The 'staple' hypothesis for thiolate-protected gold nanoclusters.” Talk given at the International conference on Theory and Applications of Computational Chemistry (TACC) 2008, Sep. 23 - 27, Shanghai, China.

16. 10/2007: “Properties of p-electrons in nanographenes.” Talk given at the 59th Southeastern Regional Meeting of the American Chemical Society (SERMACS 2007), Greenville, SC.

15. 10/2007: “Computational studies of novel separation media.” Poster presented at the 15th Symposium on Separation Science & Technology for Energy Applications, Gatlinburg, TN.

14. 10/2007: “First principles investigation of nanographenes.” Talk given at the 2007 Annual Symposium of the Southeastern Catalysis Society, Asheville, NC.

13. 04/2007: “Computational studies of novel separation media.” Talk given at the US Department of Energy Heavy Element Chemistry-Separations Contractors’ Meeting, Annapolis, MD.

12. 03/2006: “Silica-supported silver salts for olefin/paraffin separation ― A DFT study.” Talk given at the 231th American Chemical Society National Meeting, Atlanta, GA.

11. 08/2005: “Chemistry of iron surfaces and interfaces from first principles.” Poster presented at the 230th American Chemical Society National Meeting, Washington, DC.

10. 05/2005: “Structure, bonding, and adhesion of MoSi2/Fe and SiO2/MoSi2 from first principles.” Talk given at the International Conference on Metallurgical Coatings and Thin Films (ICMCTF), San Diego, CA.

9. 03/2005: “Structure, bonding, and adhesion of MoSi2/Fe and SiO2/MoSi2 from first principles.” Talk given at the American Physical Society March Meeting, Los Angeles, CA.

8. 02/2005: “Prediction of a highly activated state of CO on an ultra-thin Al film on Fe(100).” Poster presented at the 2005 Gordon Research Conference: Chemical Reactions at Surfaces.

7. 11/2004: “H2S adsorption and dissociation on Fe-Al and Fe-Si alloy surfaces from first principles.” Talk given at the American Vacuum Society 51thInternational Symposium, Anaheim, CA.

6. 08/2004: “Comparison of g-alumina supported MgO and bulk mixed Mg-Al oxide as solid base catalysts.” Talk given at the 228thAmerican Chemical Society National Meeting, Philadelphia, PA.

5. 08/2004: “g-alumina supported Na2CO3,K2CO3, and CuO for flue gas desulphurization.” Talk given at the 228thAmerican Chemical Society National Meeting, Philadelphia, PA.

4. 03/2004: “H2S dissociation on Fe(110) and Fe(100) from first principles.” Poster presented at the 227thAmerican Chemical Society National Meeting, Anaheim, CA.

3. 02/2004: “H2S adsorption and dissociation on FeAl surfaces from first principles.” Poster presented at the 2nd University of California Symposium on Surface Science, UCSD, CA.

2.11/2003: “Surface chemistry of carburization and embrittlement of Fe from first principles.” Talk given at the American Vacuum Society 50th International Symposium, Baltimore, MD.

1.09/1998: "Dispersion of cobalt(II) phthalocyaninetetrasulfonate on active carbon." Talk given at the Ninth National Conference on Catalysis, Changping, China.

Invited Presentations