Sulfurization of MoO 3 in the Chemical Vapor Deposition Synthesis of MoS 2 Enhanced by an H 2 S/H 2 Mixture
Not Available
Hong, Sungwook↗
Engineering topics
Tiwari, Subodh
Publications and source records attributed to Tiwari, Subodh.
EZFF: Python library for multi-objective parameterization and uncertainty quantification of interatomic forcefields for molecular dynamics
Parameterization of interatomic forcefields is a necessary first step in performing molecular dynamics simulations. This is a non-trivial global optimization problem involving quantification of multiple empirical variables against one or more properties. We present EZFF, a lightweight Python library for parameterization of several types of interatomic forcefields implemented in several molecular dynamics engines against multiple objectives using genetic-algorithm-based global optimization methods. The EZFF scheme provides unique functionality such as the parameterization of hybrid forcefields composed of multiple forcefield interactions as well as built-in quantification of uncertainty in forcefield parameters and can be easily extended to other forcefield functional forms as well as MD engines.
97 MATHEMATICS AND COMPUTING↗
Optically Induced Three-Stage Picosecond Amorphization in Low-Temperature SrTiO 3
Not provided.
Chemistry↗