Ankit Mishra

TL;DR: This work suggests a new reactive molecular dynamics simulation approach for far-from-equilibrium chemical processes, which quantitatively reproduces quantum molecular dynamics simulations while providing error bars.

TL;DR: In this article , a paradigm shifting design strategy is demonstrated that unifies the treatment of electronic and conformational properties of polymer dielectrics for concurrent high electric field and elevated temperature harsh conditions.

TL;DR: The results demonstrated that the PA membrane surface's roughness is a key factor of surface's bio-fouling, as the lysozyme protein adsorbed on the surface's cavity site displays extremely low surface diffusivity, blocking water passage and decreasing water flux.

TL;DR: The effectiveness of solving structure-property relationships for a computer-generated database of dielectric polymers using recurrent neural network (RNN) models is reported on and a C++ codebase is provided as a testbed for a new generation of open programming languages that target increasingly diverse computer architectures.

TL;DR: This study presents the utility of multivariate statistical techniques for evaluation of the proposed interactions and effective future monitoring of potential sites in the Indo-Gangetic plain of northern India.