KAtalar

PDRA at King's College London

King's College LondonLondon, United Kingdom

Pinned Repositories

block2-preview
Efficient parallel quantum chemistry DMRG in MPO formalism
Language:C++64 9 9323
evcont
Eigenvector continuation from variational wavefunction ansatzes.
Language:Python0 3 01
Ab-initio-tools
Set of tools that can help with the pre- and post-processing of first-principles calculations (primarily QE)
Language:Python11
course-intro-to-containers
00
machine_learning_with_python
Getting started with scikit-learn for machine learning
Language:Jupyter Notebook00
ONCVPSP
Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
Language:Python00
Profiling-and-Optimisation-in-Python
Language:Jupyter Notebook00
QE-ParallelElph
Patch to parallelize electron-phonon coupling calculation in Quantum Espresso software
50

KAtalar's Repositories

KAtalar/QE-ParallelElph
Patch to parallelize electron-phonon coupling calculation in Quantum Espresso software
50
KAtalar/Ab-initio-tools
Set of tools that can help with the pre- and post-processing of first-principles calculations (primarily QE)
Language:Python11
KAtalar/course-intro-to-containers
00
KAtalar/machine_learning_with_python
Getting started with scikit-learn for machine learning
Language:Jupyter Notebook00
KAtalar/ONCVPSP
Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
Language:Python00
KAtalar/Profiling-and-Optimisation-in-Python
Language:Jupyter Notebook00