ChemML: A machine learning and informatics program package for the analysis, mining, and modeling of chemical and materials data M Haghighatlari, G Vishwakarma, D Altarawy, R Subramanian, BU Kota, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 10 (4), e1458, 2020 | 76 | 2020 |
Probabilistic assessment of glass forming ability rules for metallic glasses aided by automated analysis of phase diagrams A Dasgupta, SR Broderick, C Mack, BU Kota, R Subramanian, S Setlur, ... Scientific reports 9 (1), 357, 2019 | 28 | 2019 |
Quantum virial coefficients of molecular nitrogen R Subramanian, AJ Schultz, DA Kofke Molecular Physics 115 (7), 869-878, 2017 | 6 | 2017 |
Direct orientation sampling of diatomic molecules for path integral Monte Carlo calculation of fully quantum virial coefficients R Subramanian, AJ Schultz, DA Kofke The Journal of Chemical Physics 146 (9), 2017 | 3 | 2017 |
Quantum Virial Coefficients via Path Integral Monte Carlo with Semi-classical Beads R Subramanian, AJ Schultz, DA Kofke Foundations of Molecular Modeling and Simulation: Select Papers from FOMMS …, 2016 | 1 | 2016 |
Machine Learning for Atomic Scale Chemical and Morphological Assessment S Broderick, T Zhang, BU Kota, R Subramanian, S Setlur, V Govindaraju, ... Microscopy and Microanalysis 24 (S1), 526-527, 2018 | | 2018 |
Quantum virial coefficients via path integral Monte Carlo: Theory and development of novel algorithms R Subramanian State University of New York at Buffalo, 2016 | | 2016 |
34. Virial Coefficients Of Hydrogen And Nitrogen Including Quantum Effects Using Path Integral Monte Carlo Method R Subramanian, AJ Schultz, DA Kofke The 16th Annual Graduate Student Research Symposium, 37, 2013 | | 2013 |