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 | 99 | 2019 |
Benchmarking computational alchemy for carbide, nitride, and oxide catalysts CD Griego, K Saravanan, JA Keith Advanced Theory and Simulations 2 (4), 1800142, 2019 | 23 | 2019 |
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 | 22 | 2020 |
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 | 16 | 2020 |
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 | 8 | 2022 |
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 | 6 | 2021 |
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 | |
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 | 3 | 2022 |
AI Literacy in Academic Library Instruction: An Environmental Scan E Bongiovanni, L Beltran, C Griego, L Herckis, LE Kawaratani, H Lan, ... OSF, 2024 | 1 | 2024 |
Open Science Recommendation Systems for Academic Libraries L Beltran, C Griego, L Herckis Journal of eScience Librarianship 13 (1), 2024 | | 2024 |
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 |