Machine Learning for Accurate Force Calculations in Molecular Dynamics Simulations Pattnaik, Punyaslok ; Raghunathan, Shampa ; Kalluri, Tarun ; Bhimalapuram, Prabhakar ; Jawahar, C. V. ; Priyakumar, U. Deva Abstract Publication: Journal of Physical Chemistry A Pub Date: August 2020 DOI: 10.1021/acs.jpca.0c03926 Bibcode: 2020JPCA..124.6954P