| Machine learning the voltage of electrode materials in metal-ion batteries RP Joshi, J Eickholt, L Li, M Fornari, V Barone, JE Peralta ACS applied materials & interfaces 11 (20), 18494-18503, 2019 | 205 | 2019 |
| Hexagonal BC3: A Robust Electrode Material for Li, Na, and K Ion Batteries RP Joshi, B Ozdemir, V Barone, JE Peralta The Journal of Physical Chemistry Letters 6 (14), 2728-2732, 2015 | 135 | 2015 |
| Machine learning screening of metal-ion battery electrode materials IA Moses, RP Joshi, B Ozdemir, N Kumar, J Eickholt, V Barone ACS Applied Materials & Interfaces 13 (45), 53355-53362, 2021 | 106 | 2021 |
| Band gap tunning in BN-doped graphene systems with high carrier mobility TP Kaloni, RP Joshi, NP Adhikari, U Schwingenschlögl Applied Physics Letters 104 (7), 2014 | 106 | 2014 |
| Revealing the formation energy–exfoliation energy–structure correlation of MAB phases using machine learning and DFT EMD Siriwardane, RP Joshi, N Kumar, D Çakır ACS applied materials & interfaces 12 (26), 29424-29431, 2020 | 56 | 2020 |
| Artificial intelligence for autonomous molecular design: A perspective RP Joshi, N Kumar Molecules 26 (22), 6761, 2021 | 53 | 2021 |
| Accurate prediction of voltage of battery electrode materials using attention-based graph neural networks SY Louis, EMD Siriwardane, RP Joshi, SS Omee, N Kumar, J Hu ACS Applied Materials & Interfaces 14 (23), 26587-26594, 2022 | 50 | 2022 |
| Machine learning models for predicting molecular uv–vis spectra with quantum mechanical properties AD McNaughton, RP Joshi, CR Knutson, A Fnu, KJ Luebke, JP Malerich, ... Journal of Chemical Information and Modeling 63 (5), 1462-1471, 2023 | 48 | 2023 |
| 3D-Scaffold: a deep learning framework to generate 3D coordinates of drug-like molecules with desired scaffolds RP Joshi, NWA Gebauer, M Bontha, M Khazaieli, RM James, JB Brown, ... The Journal of Physical Chemistry B 125 (44), 12166-12176, 2021 | 46 | 2021 |
| Fermi-Löwdin orbital self-interaction correction to magnetic exchange couplings RP Joshi, K Trepte, KPK Withanage, K Sharkas, Y Yamamoto, L Basurto, ... The Journal of Chemical Physics 149 (16), 2018 | 45 | 2018 |
| Self-interaction-free electric dipole polarizabilities for atoms and their ions using the Fermi-Löwdin self-interaction correction KPK Withanage, S Akter, C Shahi, RP Joshi, C Diaz, Y Yamamoto, ... Physical Review A 100 (1), 012505, 2019 | 42 | 2019 |
| Shrinking Self-Interaction Errors with the Fermi–Löwdin Orbital Self-Interaction-Corrected Density Functional Approximation K Sharkas, L Li, K Trepte, KPK Withanage, RP Joshi, RR Zope, T Baruah, ... The Journal of Physical Chemistry A 122 (48), 9307-9315, 2018 | 42 | 2018 |
| Accuracy of density functional theory methods for the calculation of magnetic exchange couplings in binuclear iron (III) complexes RP Joshi, JJ Phillips, KJ Mitchell, G Christou, KA Jackson, JE Peralta Polyhedron 176, 114194, 2020 | 33 | 2020 |
| Towards efficient density functional theory calculations without self-interaction: The Fermi-Löwdin orbital self-interaction correction KA Jackson, JE Peralta, RP Joshi, KP Withanage, K Trepte, K Sharkas, ... Journal of Physics: Conference Series 1290 (1), 012002, 2019 | 29 | 2019 |
| Quantum mechanical methods predict accurate thermodynamics of biochemical reactions RP Joshi, A McNaughton, DG Thomas, CS Henry, SR Canon, LA McCue, ... ACS omega 6 (14), 9948-9959, 2021 | 27 | 2021 |
| Ai-accelerated design of targeted covalent inhibitors for SARS-CoV-2 RP Joshi, KJ Schultz, JW Wilson, A Kruel, RA Varikoti, CJ Kombala, ... Journal of Chemical Information and Modeling 63 (5), 1438-1453, 2023 | 21 | 2023 |
| Magnetic exchange couplings in heterodinuclear complexes based on differential local spin rotations RP Joshi, JJ Phillips, JE Peralta Journal of chemical theory and computation 12 (4), 1728-1734, 2016 | 17 | 2016 |
| Molecular spin frustration in mixed-chelate Fe5 and Fe6 oxo clusters with high ground state spin values AP Singh, RP Joshi, KA Abboud, JE Peralta, G Christou Polyhedron 176, 114182, 2020 | 9 | 2020 |
| Local noncollinear spin analysis BA Abate, RP Joshi, JE Peralta Journal of Chemical Theory and Computation 13 (12), 6101-6107, 2017 | 7 | 2017 |
| Artificial intelligence based autonomous molecular design for medical therapeutic: a perspective RP Joshi, N Kumar arXiv preprint arXiv:2102.06045, 2021 | 2 | 2021 |
Juan E. PeraltaDepartment of Physics, Central Michigan UniversityVerified email at cmich.edu
