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Ramachandran Subramanian
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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
362020
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), 1-12, 2019
182019
Quantum virial coefficients of molecular nitrogen
R Subramanian, AJ Schultz, DA Kofke
Molecular Physics 115 (7), 869-878, 2017
32017
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), 094105, 2017
22017
Quantum Virial Coefficients via Path Integral Monte Carlo with Semi-classical Beads
R Subramanian, AJ Schultz, DA Kofke
Foundations of Molecular Modeling and Simulation, 93-106, 2016
12016
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
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Articles 1–7