| Accurate molecular polarizabilities with coupled cluster theory and machine learning DM Wilkins, A Grisafi, Y Yang, KU Lao, RA DiStasio Jr, M Ceriotti Proceedings of the National Academy of Sciences 116 (9), 3401-3406, 2019 | 210 | 2019 |
| Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles M Veit, DM Wilkins, Y Yang, RA DiStasio, M Ceriotti The Journal of Chemical Physics 153 (2), 2020 | 112 | 2020 |
| Quantum mechanical static dipole polarizabilities in the QM7b and AlphaML showcase databases Y Yang, KU Lao, DM Wilkins, A Grisafi, M Ceriotti, RA DiStasio Jr Scientific Data 6 (1), 152, 2019 | 47 | 2019 |
| Oxyaapa: A Picolinate-Based Ligand with Five Oxygen Donors that Strongly Chelates Lanthanides A Hu, I Keresztes, SN MacMillan, Y Yang, E Ding, WR Zipfel, ... Inorganic chemistry 59 (7), 5116-5132, 2020 | 19 | 2020 |
| Range-separated hybrid functional pseudopotentials Y Yang, G Prokopiou, T Qiu, AM Schankler, AM Rappe, L Kronik, ... Phys. Rev. B 108 (16), 165142, 2023 | 2 | 2023 |
| 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 |
| Range-Separated Hybrid Functional Pseudopotentials G Prokopiou, Y Yang, T Qiu, A Schankler, A Rappe, L Kronik, R Distasio APS March Meeting Abstracts 2022, N01. 003, 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 |
| Machine learning the molecular dipole moment with atomic partial charges and atomic dipoles M Veit, D Wilkins, Y Yang, R Distasio, M Ceriotti APS March Meeting Abstracts 2021, C60. 004, 2021 | | 2021 |
| Accurate Molecular Polarizabilities with Coupled Cluster Theory and Machine Learning Y Yang, KU Lao, D Wilkins, A Grisafi, M Ceriotti, R Distasio APS March Meeting Abstracts 2021, C04. 004, 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 |
| Designer Potential Energy Surfaces via Magnetic Interactions Y Yang, L Tu, Y Chen, D Leung, R Niu, HY Ko, Y Yang, Z Sparrow, ... APS March Meeting Abstracts 2021, S07. 002, 2021 | | 2021 |
| Predicting molecular dipoles by combining atomic partial charges and atomic dipoles M Veit, DM Wilkins, Y Yang, RA DiStasio Jr, M Ceriotti | | |
Robert A. DiStasio Jr.Associate Professor, Chemistry and Chemical Biology, Cornell UniversityEmail verificata su cornell.edu