Kulkarni Research Group (UC Davis)

MAZE-sim

This project aims to extend the Atomic Simulation Environment (ASE) to more naturally represent the properties of zeolites and facilitate the calculations required to determine their properties.

QuantEXAFS

vasp-fw

Functions for linking VASP/ASE and Fireworks together so that they can talk with each other

ramanbox

A series of objects to organize and store Raman spectra from Surface Enhanced Raman Spectroscopy (SERS) experiments.

ECH152B_Spring2023

Repo for codes used to teach ECH 152B- Chemical Engineering Thermodynamics

kultools

Si-ZEO22

airPLS

baseline correction using adaptive iteratively reweighted Penalized Least Squares

Anion-Exchange-Doping-Isotherms

DPTools

CLI toolkit for training and applying DeePMD models

fireworks

The Fireworks Workflow Management Repo.

kul-repository

Additional data for paper published by the Kulkarni group @ UC Davis

kulgroup-handbook

Kulkarni Group Handbook website repository

Kulkarni-Group-Handbook-v2

Ag_diffusion_data

Data and inputs for surface diffusion on Ag (111)

pynta

Pynta - an automated workflow for reaction path exploration on metallic surfaces

sella

A Python software package for saddle point optimization and minimization of atomic systems.