Chronum94
PhD researcher at Boston University. Electronic structure. Bayesian statistics. I enjoy high-performance computing in Python and Julia. Learning Julia.
Boston
Pinned Repositories
big-testing-thoughts-dump
A landfill repo of every little script/codelet etc that I write that cannot become a proper project
coherentphonons
Convenience functions that can be used to simulate coherent phonons and nonlinear phononics
computational-science-resources
A compilation of resources for general computational science It'll tend to be heavily biased towards my work, but hopefully be useful nevertheless.
DFTK.jl
Density-functional toolkit
DimensionfulAngles.jl
An extension of Unitful.jl to include angles as a dimension.
gpaw-gauss-slater-bases
A bunch of UNTESTED GPAW PAW LCAO basis sets (and their corresponding PAW setups) that I made with an ansatze found in a paper. Use entirely at your own risk.
MinSSE
A minimal implementation of the stochastic series expansion method, specialized to diluted S=1/2 Heisenberg lattices
PyNCband
Python NanoCrystal Bandgap calculator. A very simple, minimalist calculation of bandgaps for core-shell quantum dots in the first-order approximation
qephon
QE ph.x and related utilities.
simpledebyescattering
Very minimal pure-Python implementation of Debye scattering.
Chronum94's Repositories
Chronum94/big-testing-thoughts-dump
A landfill repo of every little script/codelet etc that I write that cannot become a proper project
Chronum94/DFTK.jl
Density-functional toolkit
Chronum94/DimensionfulAngles.jl
An extension of Unitful.jl to include angles as a dimension.
Chronum94/gpaw-gauss-slater-bases
A bunch of UNTESTED GPAW PAW LCAO basis sets (and their corresponding PAW setups) that I made with an ansatze found in a paper. Use entirely at your own risk.
Chronum94/qephon
QE ph.x and related utilities.
Chronum94/coherentphonons
Convenience functions that can be used to simulate coherent phonons and nonlinear phononics
Chronum94/EC777MieDesign
Chronum94/simpledebyescattering
Very minimal pure-Python implementation of Debye scattering.
Chronum94/apax
A flexible and performant framework for training machine learning potentials.
Chronum94/CarrierCapture.jl
Package to compute trap-assisted electron and hole capture in semiconducting compounds
Chronum94/Chronum94
Chronum94/chronum94.github.io
A refreshed version of Hyde for Jekyll 3.x and 4.x
Chronum94/Entropies.jl
Estimators for probabilities and entropies of timeseries and datasets in the context of nonlinear dynamics and complex systems
Chronum94/GameTheory.jl
Algorithms and data structures for game theory in Julia
Chronum94/gpaw-kernels
A small collection of numerical kernels that can be manually monkey-patched into GPAW to make it go real fast (sometimes)
Chronum94/Integrals.jl
A common interface for quadrature and numerical integration for the SciML scientific machine learning organization
Chronum94/IntrinsicTimescaleDecomposition.jl
WIP implementation of the ITD algorithm
Chronum94/IPSuite
Machine Learned Interatomic Potential Tools
Chronum94/Molly.jl
Molecular simulation in Julia
Chronum94/MultipleScattering.jl
A Julia library for simulating, processing, and plotting multiple scattering of waves.
Chronum94/ObaraSaika.jl
Chronum94/Octavian.jl
Multi-threaded BLAS-like library that provides pure Julia matrix multiplication
Chronum94/py-spy
Sampling profiler for Python programs
Chronum94/qe-demystify
Demystify the undocumented Quantum ESPRESSO input/output
Chronum94/qe-feedstock
A conda-smithy repository for qe.
Chronum94/ReservoirComputing.jl
Reservoir computing utilities for scientific machine learning (SciML)
Chronum94/RestrictedBoltzmannMachines.jl
Train and sample Restricted Boltzmann machines in Julia
Chronum94/SavitzkyGolay.jl
Implementation of the 1D Savitzky-Golay filter in JuliaLang
Chronum94/ThinFilmsTools.jl
Tools for the design and characterisation of thin-films written in Julia.
Chronum94/WeigendAhlrichsStructures
Contains an extxyz file of test set of molecules in the Weigend/Ahlrichs paper and the script I used to make it