Sonti974948

ParGaMD

Parallelizable Gaussian Accelerated Molecular Dynamics

Data_Au_Zeo_Diffusion

Supporting Data for "Stability and Dynamics of Zeolite-confined Gold Nanoclusters"

Enhanced-Sampling-in-AMBER-tutorial

Tutorials on doing AMBER based Metadynamics and Gaussian Accelerated MD (GaMD)

NEP-GPUMD-tutorial

An example of training a NEP potential on Pt@zeolite database and running a GPUMD simulation

NSF_ACCESS_template

LaTeX template to write proposals for NSF ACCESS requests

we_scripts

Sonti974948.github.io

Interfacial-Tension-in-Ternary-Systems

Estimates Interfacial Tension in Ternary systems using Li-Fu equation

Diffusivity-for-Ternary-Systems