B. Narayanan

activity

20162020

most citedActive Learning A Neural Network Model For Gold Clusters \& Bulk From Sparse First Principles Training Data

30 citations · 50 across the 4 of their papers we have counts for

collaborators

Showing 2018Show all

2 papers · 1 filter

physics.comp-ph2018

Comparing optimization strategies for force field parameterization

Fatih G. Sen, Badri Narayanan, Jeffrey Larson +7

Classical molecular dynamics (MD) simulations enable modeling of materials and examination of microscopic details that are not accessible experimentally. The predictive capability…

cond-mat.mtrl-sci2018

Pressure-Induced Phase Transformation in $β$ -Eucryptite: an X-Ray Diffraction and Density Functional Theory Study

Yachao Chen, Sukriti Manna, Badri Narayanan +3

Certain alumino-silicates display exotic properties enabled by their framework structure made of corner-sharing tetrahedral rigid units. Using \textit{in situ} diamond-anvil cell x…

Comparing optimization strategies for force field parameterization

Pressure-Induced Phase Transformation in β-Eucryptite: an X-Ray Diffraction and Density Functional Theory Study

Pressure-Induced Phase Transformation in $β$ -Eucryptite: an X-Ray Diffraction and Density Functional Theory Study