671 skills found · Page 8 of 23
sblisesivdin / Gpaw Toolsgpaw-tools is a powerful and user-friendly UI/GUI tool for conducting Density Functional Theory (DFT) and molecular dynamics (MD) calculations
yangwangmadrid / EzResonAn efficient toolkit for chemical resonance analysis based on quantum chemistry calculations. It implements the quantitative theory of resonance by expansion of the wave function from a DFT/HF calculation in terms of those of the Lewis structures.
stainless-steel / DftDiscrete Fourier transform
costrouc / DftfitInteratomic potential creating using DFT training data.
MihailBogojeski / Ml DftA package for density functional approximation using machine learning.
OwenYou / Dftt TimecodeTimecode library for film and TV industry, supports HFR and a bunch of cool features
basemhesham / Design And ASIC Implementation Of UARTThis repository presents ASIC design flow for UART utilizing RTL to GDS implementation This has been simulated on VCS and has been implemented by using Verilog description language which has been synthesized using Design Compiler and Back End design using Synopsys IC Compiler II
Chengcheng-Xiao / ToolsDFT post processing tools
cubanpit / Graphene Bilayer DftDFT calculation on twisted graphene bilayer
njankowski / DftoolsTools for Star Wars: Dark Forces assets.
seongsukim-ml / QHFlow🌟 [NeurIPS '25 Spotlight] Official implement of QHFlow for DFT Hamiltonian prediction
anharmonic / D3qD3Q + thermal2
majhas / Self Refining DftNo description available
aromanro / DFTQuantumDotDensity Functional Theory with plane waves basis, applied on a 'quantum dot'. Volumetric visualization of orbitals with VTK
jkitchin / Dft CourseCourse repository for 06-640 - Molecular simulation
ongfei / DFTransitionAnimation转场动画+手势驱动
DMFTwDFT-project / DMFTwDFT3A framework to treat strongly correlated materials using beyond-DFT methods
elvissoares / PyDFTljAn python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries
Inokinoki / ParallelFFTFFT(WIP)&DFT implementations in NVIDIA CUDA and Apple Metal
fserre / SGenSGen is a generator capable of producing efficient hardware designs operating on streaming datasets. “Streaming” means that the dataset is divided into several chunks that are processed during several cycles, thus allowing a reduced use of resources. The size of these chunks is referred as the streaming width. It outputs a Verilog file that can be used for FPGAs.
