Pinned Repositories
CapacMD
A Molecular Dynamics Simulation Engine Using Capacitance-Polarizability Force Field
cookiecutter-cms
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
cookiecutter-data-science
A logical, reasonably standardized, but flexible project structure for doing and sharing data science work.
dsuvlu.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
interfacial-water-structure-code
Water structure code and analysis scripts
lammps-conp
Constant potential method in LAMMPS
lammps-USER-CONP2
updated constant potential plugin for LAMMPS
maine-thesis
A LaTeX class file for the typesetting of Masters and Doctorate Theses at the University of Maine.
NanoclusterModeler.jl
Julia package for modeling nanocluster formation
openmm_chiral_water
dsuvlu's Repositories
dsuvlu/CapacMD
A Molecular Dynamics Simulation Engine Using Capacitance-Polarizability Force Field
dsuvlu/cookiecutter-cms
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
dsuvlu/cookiecutter-data-science
A logical, reasonably standardized, but flexible project structure for doing and sharing data science work.
dsuvlu/dsuvlu.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
dsuvlu/interfacial-water-structure-code
Water structure code and analysis scripts
dsuvlu/lammps-conp
Constant potential method in LAMMPS
dsuvlu/lammps-USER-CONP2
updated constant potential plugin for LAMMPS
dsuvlu/maine-thesis
A LaTeX class file for the typesetting of Masters and Doctorate Theses at the University of Maine.
dsuvlu/NanoclusterModeler.jl
Julia package for modeling nanocluster formation
dsuvlu/openmm_chiral_water
dsuvlu/openmm_constV
openMM plugin to run constant potential molecular dynamics with Image charge method
dsuvlu/scafacos
ScaFaCoS library for Fast Coulomb Solvers
dsuvlu/software-development
A primer on software development best practices for computational chemistry