Aditya Nandy
Affiliations: | 2017- | Massachusetts Institute of Technology, Cambridge, MA, United States |
Google:
"Aditya Nandy"Mean distance: (not calculated yet)
BETA: Related publications
See more...
Publications
|
You can help our author matching system! If you notice any publications incorrectly attributed to this author, please sign in and mark matches as correct or incorrect. |
| Yue S, Nandy A, Kulik HJ. (2023) Discovering Molecular Coordination Environment Trends for Selective Ion Binding to Molecular Complexes Using Machine Learning. The Journal of Physical Chemistry. B |
| Edholm F, Nandy A, Reinhardt CR, et al. (2023) Protein3D: Enabling analysis and extraction of metal-containing sites from the Protein Data Bank with molSimplify. Journal of Computational Chemistry |
| Vennelakanti V, Taylor MG, Nandy A, et al. (2023) Assessing the performance of approximate density functional theory on 95 experimentally characterized Fe(II) spin crossover complexes. The Journal of Chemical Physics. 159 |
| Adamji H, Nandy A, Kevlishvili I, et al. (2023) Computational Discovery of Stable Metal-Organic Frameworks for Methane-to-Methanol Catalysis. Journal of the American Chemical Society. 145: 14365-14378 |
| Nandy A, Taylor MG, Kulik HJ. (2023) Identifying Underexplored and Untapped Regions in the Chemical Space of Transition Metal Complexes. The Journal of Physical Chemistry Letters. 14: 5798-5804 |
| Cytter Y, Nandy A, Duan C, et al. (2023) Insights into the deviation from piecewise linearity in transition metal complexes from supervised machine learning models. Physical Chemistry Chemical Physics : Pccp. 25: 8103-8116 |
| Terrones GG, Duan C, Nandy A, et al. (2023) Low-cost machine learning prediction of excited state properties of iridium-centered phosphors. Chemical Science. 14: 1419-1433 |
| Duan C, Nandy A, Meyer R, et al. (2022) A transferable recommender approach for selecting the best density functional approximations in chemical discovery. Nature Computational Science. 3: 38-47 |
| Duan C, Nandy A, Terrones GG, et al. (2022) Active Learning Exploration of Transition-Metal Complexes to Discover Method-Insensitive and Synthetically Accessible Chromophores. Jacs Au. 3: 391-401 |
| Cho Y, Nandy A, Duan C, et al. (2022) DFT-Based Multireference Diagnostics in the Solid State: Application to Metal-Organic Frameworks. Journal of Chemical Theory and Computation. 19: 190-197 |