JOSS Papers: Molecular dynamics

Published Papers

published Published 3 months ago

asyncmd: A python library to orchestrate complex molecular dynamics simulation campaigns on high performance computing systems

Python

10.21105/joss.08321

published Published 4 months ago

fastatomstruct: A High-Performance Library for Structural and Dynamical Analysis of Atomic Systems

Rust Jupyter Notebook Python

10.21105/joss.08106

published Published 4 months ago

SwiftPol: A Python package for building and parameterizing in silico polymer systems

Jupyter Notebook Python

10.21105/joss.08053

published Published 4 months ago

NanoVer Server: A Python Package for Serving Real-Time Multi-User Interactive Molecular Dynamics in Virtual Reality

C# Python Jupyter Notebook

10.21105/joss.08118

published Published 11 months ago

MoSDeF-dihedral-fit: A lightweight software for fitting dihedrals within MoSDeF

Python

10.21105/joss.06970

published Published about 1 year ago

OpenMD: A parallel molecular dynamics engine for complex systems and interfaces

Python C++ C

10.21105/joss.07004

published Published about 1 year ago

alchemlyb: the simple alchemistry library

Python

10.21105/joss.06934

published Published about 1 year ago

MDCraft: A Python assistant for performing and analyzing molecular dynamics simulations of soft matter systems

Jupyter Notebook C++ C Cuda

10.21105/joss.07013

published Published over 1 year ago

IonDiff: command-line tool to identify ionic diffusion events and hopping correlations in molecular dynamics simulations

Python

10.21105/joss.06616

published Published over 1 year ago

PAPRECA: A parallel hybrid off-lattice kinetic Monte Carlo/molecular dynamics simulator

C++ C

10.21105/joss.06714

Displaying papers 1 - 10 of 44 in total

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