Pinned Repositories
AutoMeKin
Automated discovery of reaction Mechanisms and Kinetics
entropy-search
Entropy Search for Information-Efficient Global Optimization - JMLR v13
fdm-book
Resources for "The Craft of Finite Difference Computing with Partial Differential Equations" by H. P. Langtangen
gdp-svsk
group-website
Repo for learning how to make websites with jekyll and GitHub Pages
IntegratedFragmentationSuite
Integrated python suite to simulate fragmentation of non-covalent clusters in soft-ionisation mass spectrometry.
MDSAPT
SAPT energy calculator built using MDAnalysis and Psi4
personalwebsite
Personal-Website for publishing and keeping track of my current thesis work
SGMVMOO
Stochastic Global Multi-Variable Multi-Objective Optimization
ThesisResume
Latex files and pdf for the thesis resume
SwaroopKunapuli's Repositories
SwaroopKunapuli/AutoMeKin
Automated discovery of reaction Mechanisms and Kinetics
SwaroopKunapuli/entropy-search
Entropy Search for Information-Efficient Global Optimization - JMLR v13
SwaroopKunapuli/fdm-book
Resources for "The Craft of Finite Difference Computing with Partial Differential Equations" by H. P. Langtangen
SwaroopKunapuli/gdp-svsk
SwaroopKunapuli/group-website
Repo for learning how to make websites with jekyll and GitHub Pages
SwaroopKunapuli/IntegratedFragmentationSuite
Integrated python suite to simulate fragmentation of non-covalent clusters in soft-ionisation mass spectrometry.
SwaroopKunapuli/MDSAPT
SAPT energy calculator built using MDAnalysis and Psi4
SwaroopKunapuli/personalwebsite
Personal-Website for publishing and keeping track of my current thesis work
SwaroopKunapuli/SGMVMOO
Stochastic Global Multi-Variable Multi-Objective Optimization
SwaroopKunapuli/ThesisResume
Latex files and pdf for the thesis resume
SwaroopKunapuli/ThesisWork
Files and Codes relating to the thesis work on parameterization of deep eutectic solvents