chemicalfiend
Non-Interacting 𝒱-Representable chemical physicist and semiconductor materials engineer
Chennai, India
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.
CHE-F414-transport-phenomena
Notes and simulations for the course Transport Phenomena. Prepared while I was a teaching assistant (Spring 2023)
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
pathintegraldynamics
chemicalfiend's Repositories
chemicalfiend/lammps-carrier-mobility
Workflow for getting the carrier mobilities from LAMMPS trajectories.
chemicalfiend/CHE-F414-transport-phenomena
Notes and simulations for the course Transport Phenomena. Prepared while I was a teaching assistant (Spring 2023)
chemicalfiend/AtomsBase.jl
A Julian abstract interface for atomic structures.
chemicalfiend/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
chemicalfiend/i3tachi
configuration and dotfiles for arch with i3-gaps
chemicalfiend/md_utils
tools, utilities, miscellaneous files for molecular dynamics simulations
chemicalfiend/Molly.jl
Molecular simulation in Julia
chemicalfiend/ChargedParticles.jl
Messing with electrons and holes classically
chemicalfiend/chemicalfiend
Repository for profile README.md
chemicalfiend/chemicalfiend.github.io
static page
chemicalfiend/DFTK.jl
Density-functional toolkit
chemicalfiend/ElectronicDevices.jl
Simulating physics at the device level
chemicalfiend/Fermi.jl
Fermi quantum chemistry program
chemicalfiend/Gnuplot.jl
Julia interface to gnuplot
chemicalfiend/julia
The Julia Programming Language
chemicalfiend/JuLIP.jl
Julia Library for Interatomic Potentials
chemicalfiend/latex-moderncv
My latex resume using the moderncv template
chemicalfiend/masters-thesis
BITS Pilani Masters Thesis
chemicalfiend/morphct
chemicalfiend/multimash
chemicalfiend/NQCDynamics.jl
Fast and flexible nonadiabatic molecular dynamics in Julia!
chemicalfiend/NQCModels.jl
Interface for defining model systems for nonadiabatic dynamics
chemicalfiend/philosophy-notes
chemicalfiend/planckton
Reproducible exploration of organic photovoltaic morphology self-assembly using molecular dynamics.
chemicalfiend/Pluto.jl
🎈 Simple reactive notebooks for Julia
chemicalfiend/polyellipsoid
chemicalfiend/QuantumDynamics.jl
quantum dynamics simulation environment
chemicalfiend/SpectralLineShapes.jl
chemicalfiend/test
My first GitHub repository!
chemicalfiend/Zygote.jl
21st century AD