savya10
PhD Student in @SMTG-Bham, applying ML in defect chemistry applications (based in UCL/Singapore)
@SMTG-Bham @Kedar-Materials-by-Design-LabLondon/Singapore
Pinned Repositories
alignn
Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ&hl=en
cgcnndefect
CGCNN with personal modifications for defect calculations
datathon
zip file for all the work done in the digifab datathon '21. (XGB is the goat)
doped
Collection of Python modules & functions to perform and process solid-state defect calculations
hello-world
first repo!
IFermi
LaTeX-templates
Graduate School LaTeX templates for Lab rotation proposal + report, OIST beamer and Thesis + thesis proposal
ShakeNBreak
Defect structure-searching method employing chemically-guided bond distortions to locate ground-state and metastable structures of point defects in solid materials.
doped
doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defect simulation workflow in an efficient, reproducible, user-friendly yet powerful and fully-customisable manner.
PyTASER
Python package to simulate differential absorption spectra of crystals from first principles
savya10's Repositories
savya10/alignn
Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ&hl=en
savya10/cgcnndefect
CGCNN with personal modifications for defect calculations
savya10/datathon
zip file for all the work done in the digifab datathon '21. (XGB is the goat)
savya10/doped
Collection of Python modules & functions to perform and process solid-state defect calculations
savya10/hello-world
first repo!
savya10/IFermi
savya10/LaTeX-templates
Graduate School LaTeX templates for Lab rotation proposal + report, OIST beamer and Thesis + thesis proposal
savya10/ShakeNBreak
Defect structure-searching method employing chemically-guided bond distortions to locate ground-state and metastable structures of point defects in solid materials.