Pinned Repositories
glosario
A multilingual glossary for computing and data science terms.
q-e-sirius
SIRIUS-enabled Quantum ESPRESSO
SIRIUS
Domain specific library for electronic structure calculations
SpFFT
Sparse 3D FFT library with MPI, OpenMP, CUDA and ROCm support
crystal-structure-inputs
Input files for QuantumESPRESSO, Exciting and SIRIUS
glosario
A multilingual glossary for computing and data science terms.
KMC_downscaling
Algorithm to speed-up Gillespie-KMC simulations by downscaling (reducing) the kinetic rates of fast reactions. Applied to a biological system.
q-e-sirius
SIRIUS-enabled Quantum ESPRESSO
SIRIUS
Domain specific library for electronic structure calculations
SkipListKMC
gsavva's Repositories
gsavva/crystal-structure-inputs
Input files for QuantumESPRESSO, Exciting and SIRIUS
gsavva/glosario
A multilingual glossary for computing and data science terms.
gsavva/KMC_downscaling
Algorithm to speed-up Gillespie-KMC simulations by downscaling (reducing) the kinetic rates of fast reactions. Applied to a biological system.
gsavva/q-e-sirius
SIRIUS-enabled Quantum ESPRESSO
gsavva/SIRIUS
Domain specific library for electronic structure calculations
gsavva/SkipListKMC