2025 Spring Meeting and 21st Global Congress on Process Safety April 6-10, 2025 Hilton Anatole, Dallas, TX
2025 AIChE Annual Meeting November 2-6, 2025 John B. Hynes Veterans Memorial Convention Center, Marriott Copley Place, Sheraton Back Bay | Boston, MA
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Martin Head-Gordon Citation name Head-Gordon, M. Affiliation University of California - Berkeley State CA Country USA Authored(681i) A Combinatorial Approach for Developing Minimally-Parameterized and Highly-Transferable Density FunctionalsMartin Head-GordonNarbe Mardirossian2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)(435b) Mechanistic Insights into the Electrochemical Reduction of CO2 over Ag Using an Integrated Transport-DFT-Microkinetic ModelJason GoodpasterMeenesh SinghAdam WeberMartin Head-GordonAlexis T. Bell2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)(307b) Identification of Possible Mechanistic Pathways during the Electrochemical Reduction of CO2: Results from Constant Potential DFT CalculationsJason GoodpasterAlexis T. BellMartin Head-Gordon2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)(289a) Development and Comparative Performance of Density Functionals That Correctly and Efficiently Treat Long-Range CorrelationsMartin Head-Gordon2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)(116e) Theoretical Studies of Propene Oligomerization in Ni-Na-XJoseph S. GomesMartin Head-GordonAlexis T. Bell2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)(289b) Application of DFT-D and QM/MM Methods in Zeolite-Catalyzed ReactionsJoseph S. GomesMartin Head-GordonAlexis T. Bell2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)(504a) Examination of Brønsted and Lewis Acid-Catalyzed Alkane Reactions in MFI Zeolites Using a Hybrid QM/MM SchemeErum MansoorMartin Head-GordonAlexis Bell2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)(189az) Modeling the Transformation of Ethene over MFI Using a Hybrid QM/MM StrategyErum MansoorMartin Head-GordonAlexis Bell2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)(327j) Electrochemically Catalyzed Carbon Dioxide Reduction Reactions and Formation Pathways to Two-Carbon and Three-Carbon Molecules on the Metallic Copper SurfacesZhou LinKun JiangAlejandro J. GarzaAlexis BellMartin Head-Gordon2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)(544b) Computationally Aided Design of Two-Dimensional Composites As Alternatives to Metallic Copper for Catalyzing the Carbon Dioxide Reduction ReactionZhou LinKun JiangAlejandro J. GarzaAlexis BellMartin Head-Gordon2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)(174as) Theoretical Investigations of Lewis Acid-Catalyzed Alkane C-H Activation in Metal-Modified ZeolitesAlexis BellErum MansoorMartin Head-Gordon2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)(403a) High-Throughput Approach to Studying Adsorption on Zeolite SurfacesMartin Head-GordonAlexis BellHassan AlJama2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)(582d) Computational Study of Active Site Structure and NOx Storage in Pd-Exchanged ZeolitesJeroen Van der MynsbruggePaul KimMartin Head-GordonAlexis Bell2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)(111e) Computational Analysis of Kinetics of Ketonization and Aldol Condensation on Isolated Zirconium SitesAlexis BellLance A. BettinsonShylesh SankaranarayanapillaMartin Head-Gordon2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)(124d) The Role of Surface Roughening in Improving the Selectivity of Copper for CO2 ElectroreductionAlexis BellJoseph GauthierMartin Head-GordonFrank Abild-PedersenJoakim Halldin Stenlid2021 Annual Meeting (ISBN: 978-0-8169-1116-5)(682a) The Influence of Atomic-Scale Active Site Distributions on Selectivity in Electroreduction of CO2Joakim Halldin StenlidJoseph GauthierMartin Head-GordonAlexis T. BellFrank Abild-Pedersen2022 Annual Meeting (ISBN: 978-0-8169-1118-9)(664f) The Role of Surface Roughening in Improving the Selectivity of Copper for CO2 ElectroreductionJoakim Halldin StenlidJoseph GauthierAlexis T. BellMartin Head-GordonFrank Abild-Pedersen2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2) Associated proceedings 2016 AIChE Annual Meeting 2013 AIChE Annual Meeting 2018 AIChE Annual Meeting 2019 AIChE Annual Meeting 2020 Virtual AIChE Annual Meeting 2021 Annual Meeting 2022 Annual Meeting 2023 AIChE Annual Meeting
