Name: Amrita Goswami
Type: User
Bio: I'm a postdoc at UI, with a PhD in Chemical Engineering from IIT Kanpur. I work on structure determination, ice nucleation & scientific code development
Location: University of Iceland
Amrita Goswami's Projects
A bunch of spack customized repositories
LaTeX template for scientific conference booklet, or book of abstracts
TA Notes
Cute little experiments
A short curriculum vitae
Dotfiles with dotgit, zsh, emacs, vim and bspwm for mouseless work.
Python computational experiment management
A small C++ library to create Network objects (from graph_lib) using System objects. Can find ion pairs and create hydrogen bonds.
Public development project of the LAMMPS MD software package
A small example for a nudged-elastic band in LAMMPS, with the initial files created in ASE
Nix Packages collection
A C++ library which implements various probability distribution functions
Various ways to analyze and visualize solvation shells, and atomic systems. Meant primarily for analyzing the outputs produced by LAMMPS, but would work with most things compatible with ASE.
Simple Python codes for calculating the structure factor (and 3-D RDF) from lammps trajectory files, using the package freud
A command-line interface for analysis of Molecular Dynamics simulations.
Transport property calculations from molecular simulations.