90 citations · 116 across the 4 of their papers we have counts for
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cond-mat.mtrl-sci2021
Analyzing melts and fluids from ab initio molecular dynamics simulations with the UMD package
Razvan Caracas, Anais Kobsch, Natalia V. Solomatova +3
We develop a Python-based open-source package to analyze the results stemming from ab initio molecular-dynamics simulations of fluids. The package is best suited for applications o…
cond-mat.mtrl-sci2007★ 20 cited
Prediction of polar ordered oxynitride perovskites
Razvan Caracas, R. E. Cohen
Using a materials by design approach, the authors find a class of ordered oxynitride piezoelectrics with perovskite structure. They predict that ordered YSiO2N and YGeO2N are chara…