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Charles D. Griego
Charles D. Griego
Science and Engineering Librarian, Carnegie Mellon University
Підтверджена електронна адреса в andrew.cmu.edu
Назва
Посилання
Посилання
Рік
Free Standing Nanoporous Palladium Alloys as CO Poisoning Tolerant Electrocatalysts for the Electrochemical Reduction of CO2 to Formate
S Chatterjee, C Griego, JL Hart, Y Li, ML Taheri, J Keith, JD Snyder
Acs Catalysis 9 (6), 5290-5301, 2019
922019
Benchmarking computational alchemy for carbide, nitride, and oxide catalysts
CD Griego, K Saravanan, JA Keith
Advanced Theory and Simulations 2 (4), 1800142, 2019
232019
Acceleration of catalyst discovery with easy, fast, and reproducible computational alchemy
CD Griego, JR Kitchin, JA Keith
International Journal of Quantum Chemistry 121 (1), e26380, 2020
212020
Machine learning corrected alchemical perturbation density functional theory for catalysis applications
CD Griego, L Zhao, K Saravanan, JA Keith
AIChE Journal 66 (12), e17041, 2020
152020
Evaluating quantum alchemy of atoms with thermodynamic cycles: Beyond ground electronic states
EA Eikey, AM Maldonado, CD Griego, GF von Rudorff, JA Keith
The Journal of chemical physics 156 (6), 2022
72022
Free Standing Nanoporous Palladium Alloys as CO Poisoning Tolerant Electrocatalysts for the Electrochemical Reduction of CO2 to Formate, ACS Catal. 9 (2019) 5290–5301
S Chatterjee, C Griego, JL Hart, Y Li, ML Taheri, J Keith, JD Snyder
6
Computationally guided searches for efficient catalysts through chemical/materials space: Progress and outlook
CD Griego, AM Maldonado, L Zhao, B Zulueta, BM Gentry, E Lipsman, ...
The Journal of Physical Chemistry C 125 (12), 6495-6507, 2021
52021
Quantum alchemy beyond singlets: Bonding in diatomic molecules with hydrogen
EA Eikey, AM Maldonado, CD Griego, GF von Rudorff, JA Keith
The Journal of Chemical Physics 156 (20), 2022
32022
Rethinking Computational Catalyst Searches With Alchemical Perturbation Density Functional Theory
CD Griego
University of Pittsburgh, 2022
2022
Improved Catalyst Predictions with Machine Learning Coupled Alchemical Perturbation Density Functional Theory
C Griego, L Zhao, K Saravanan, J Keith
2020 Virtual AIChE Annual Meeting, 2020
2020
Authors response for" Acceleration of Catalyst Discovery with Easy, Fast, and Reproducible Computational Alchemy"
JA Keith, C Griego, JR Kitchin
Authorea Preprints, 2020
2020
Machine Learning Models Correct Systematic Errors in Alchemical Perturbation Density Functional Theory Applications to Catalysis
CD Griego, L Zhao, K Saravanan, J Keith
2020
Multimetallic Core-Shell Nanoporous Pd Alloys for Surface Poisoning Suppression during Electrohydrogenation of CO2 to Formate
S Chatterjee, C Griego, Y Li, J Keith, J Snyder
2019 AIChE Annual Meeting, 2019
2019
Mechanistic Study of Water Oxidation to Ozone on Rutile SnO2 (110) with Computational Chemistry
C Griego, A Leo, K Saravanan, J Keith
2019 AIChE Annual Meeting, 2019
2019
Recent Progress Using Computational Alchemy for Heterogeneous Catalysis
C Griego, J Keith
2019 North American Catalysis Society Meeting, 2019
2019
High Throughput Screening: Benchmarking Computational Alchemy for Carbide, Nitride, and Oxide Catalysts (Adv. Theory Simul. 4/2019)
CD Griego, K Saravanan, JA Keith
Advanced Theory and Simulations 2 (4), 1970010, 2019
2019
Free Standing Nanoporous Pd Alloys as CO Poisoning Tolerant Electrocatalysts for the Electrochemical Reduction of CO2 to Formate
S Chatterjee, CD Griego, J Hart, Y Li, M Taheri, J Keith, J Snyder
2019
Computational Alchemy to Drive Searches for Catalysts through Materials Space
C Griego, K Saravanan, J Keith
2018 AIChE Annual Meeting, 2018
2018
Theoretical Study of a High Performance Thermoelectric Material: Stanene
P Choudhury, C Griego
2017 AIChE Annual Meeting, 2017
2017
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