Pinned Repositories
Alchemy.jl
AtomsBase.jl
A Julian abstract interface for atomic structures.
Catalyst.jl
Chemical reaction network and systems biology interface for scientific machine learning (SciML). High performance, GPU-parallelized, and O(1) solvers in open source software
CellListMap.jl
Flexible implementation of cell lists to map the calculations of short-ranged particle-pair dependent functions, such as forces, energies, neighbor lists, etc.
chemicalfiend
Repository for profile README.md
chemicalfiend.github.io
static page
lammps-carrier-mobility
Workflow for getting the carrier mobilities from LAMMPS trajectories.
md-constraints
Julia implementation of constraint algorithms for Molecular Dynamics simulations.
MyAnimations
Some animations from manim for tests and videos.
Sclera.jl
Visualizing tool for atoms and molecules
chemicalfiend's Repositories
chemicalfiend/Sclera.jl
Visualizing tool for atoms and molecules
chemicalfiend/md-constraints
Julia implementation of constraint algorithms for Molecular Dynamics simulations.
chemicalfiend/MyAnimations
Some animations from manim for tests and videos.
chemicalfiend/Alchemy.jl
chemicalfiend/CellListMap.jl
Flexible implementation of cell lists to map the calculations of short-ranged particle-pair dependent functions, such as forces, energies, neighbor lists, etc.
chemicalfiend/md_utils
tools, utilities, miscellaneous files for molecular dynamics simulations
chemicalfiend/Diffractometer.jl
chemicalfiend/dsmc-microchannel
Direct Simulation Monte Carlo in python for a channel.
chemicalfiend/GIXStapose
An interactive structure viewer alongside its simulated diffraction pattern
chemicalfiend/Isaac.jl
experimental Newton solvers for nonlinear systems, optimisation, and saddle search
chemicalfiend/LAMMPS.jl
chemicalfiend/leavebits.github.io
chemicalfiend/Oceananigans.jl
🌊 Julia software for fast, friendly, flexible, data-driven, ocean-flavored fluid dynamics on CPUs and GPUs
chemicalfiend/planckton-flow
A lightweight dataspace manager for molecular dynamics simulations of organic photovoltaics.
chemicalfiend/Quante.jl
Quantum-chemistry methods in Julia. Based on Rick Muller's PyQuante2
chemicalfiend/WaterLily.jl
Real-time fluid simulator in Julia