| Electrocatalysis in alkaline media and alkaline membrane-based energy technologies Y Yang, CR Peltier, R Zeng, R Schimmenti, Q Li, X Huang, Z Yan, G Potsi, ... Chemical Reviews 122 (6), 6117-6321, 2022 | 224 | 2022 |
| Dual electrocatalysis enables enantioselective hydrocyanation of conjugated alkenes L Song, N Fu, BG Ernst, WH Lee, MO Frederick, RA DiStasio Jr, S Lin Nature chemistry 12 (8), 747-754, 2020 | 177 | 2020 |
| QM7-X, a comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules J Hoja, L Medrano Sandonas, BG Ernst, A Vazquez-Mayagoitia, ... Scientific data 8 (1), 43, 2021 | 82 | 2021 |
| Expeditious synthesis of aromatic-free piperidinium-functionalized polyethylene as alkaline anion exchange membranes W You, JM Ganley, BG Ernst, CR Peltier, HY Ko, RA DiStasio, ... Chemical Science 12 (11), 3898-3910, 2021 | 50 | 2021 |
| NENCI-2021. I. A large benchmark database of non-equilibrium non-covalent interactions emphasizing close intermolecular contacts ZM Sparrow, BG Ernst, PT Joo, KU Lao, RA DiStasio The Journal of Chemical Physics 155 (18), 2021 | 20 | 2021 |
| Uniting nonempirical and empirical density functional approximation strategies using constraint-based regularization ZM Sparrow, BG Ernst, TK Quady, RA DiStasio Jr The Journal of Physical Chemistry Letters 13 (30), 6896-6904, 2022 | 7 | 2022 |
| Attracting Opposites: Promiscuous Ion− π Binding in the Nucleobases BG Ernst, KU Lao, AG Sullivan, RA DiStasio Jr The Journal of Physical Chemistry A 124 (20), 4128-4140, 2020 | 6 | 2020 |
| NENCI-2021 Part I: A Large Benchmark Database of Non-Equilibrium Non-Covalent Interactions Emphasizing Close Intermolecular Contacts ZM Sparrow, BG Ernst, PT Joo, KU Lao, RA DiStasio Jr | 3 | |
| CASE21: Uniting Non-Empirical and Semi-Empirical Density Functional Approximation Strategies using Constraint-Based Regularization ZM Sparrow, BG Ernst, TK Quady, RA DiStasio Jr arXiv preprint arXiv:2109.12560, 2021 | 2 | 2021 |
| Quantum Mechanics Enables''Freedom of Design''in Molecular Property Space L Medrano Sandonas, J Hoja, B Ernst, A Vazquez-Mayagoitia, R Distasio, ... APS March Meeting Abstracts 2022, G47. 012, 2022 | 1 | 2022 |
| Machine learning molecular conformational energies using semi-local density fingerprints Y Yang, Z Sparrow, B Ernst, T Quady, Z Shen, R Kang, J Lee, Y Yang, ... Bulletin of the American Physical Society, 2024 | | 2024 |
| Uniting non-empirical and empirical density functional approximation strategies with the constrained and smoothed empirical (CASE) framework Z Sparrow, B Ernst, T Quady, R Distasio Bulletin of the American Physical Society, 2024 | | 2024 |
| “Freedom of design” in chemical compound space: towards rational in silico design of molecules with targeted quantum-mechanical properties LM Sandonas, J Hoja, BG Ernst, Á Vázquez-Mayagoitia, RA DiStasio, ... Chemical Science 14 (39), 10702-10717, 2023 | | 2023 |
| Some Applications, Insights, and Approximations for the Quantum Mechanical Treatment of Molecular Interactions BG Ernst Cornell University, 2022 | | 2022 |
| Fueling a Data-Driven Machine Learning Model for H3O+ and OH- Transport through Confined Aqueous Environments: A High-Throughput Order-N Framework … HY Ko, M Calegari Andrade, Z Sparrow, B Ernst, J Harris, R Distasio APS March Meeting Abstracts 2022, B48. 002, 2022 | | 2022 |
| Semi-Local Density Fingerprints for Machine Learning Molecular Properties, Intra-/Inter-molecular Interactions, and Chemical Reactions Y Yang, Z Sparrow, B Ernst, T Quady, J Lee, Y Yang, L Tu, R Distasio APS March Meeting Abstracts 2022, S01. 010, 2022 | | 2022 |
| Quantum Mechanics Enables" Freedom of Design" in Molecular Property Space LM Sandonas, J Hoja, BG Ernst, A Vazquez-Mayagoitia, RA DiStasio Jr, ... | | 2021 |
| Uniting Non-Empirical and Semi-Empirical Density Functional Approximation Strategies using Constraint-Based Regularization TK Quady, ZM Sparrow, BG Ernst, RA DiStasio Jr | | 2021 |
| NENCI-2020: A Large Benchmark Database of Non-Equilibrium Non-Covalent Interactions with an Emphasis on Close Contacts Z Sparrow, B Ernst, P Joo, KU Lao, R Distasio APS March Meeting Abstracts 2021, A19. 005, 2021 | | 2021 |
| Enabling Linear Scaling Exact Exchange for Heterogeneous Systems HY Ko, Z Sparrow, M Andrade, O Crane, B Ernst, P Kotamnives, Y Yang, ... APS March Meeting Abstracts 2021, F19. 010, 2021 | | 2021 |
