ashutoshvt
Post-doc (Los Alamos National Lab) Quantum Chemistry, Quantum Computing
Los Alamos National LabLos Alamos, NM
Pinned Repositories
adapt-vqe
ADAPT-VQE simulation code
ashutoshvt.github.io
autogen
Automatic Expression Generator Code using Wicks theorem for Quantum Chemical Theories
bagel
Brilliantly Advanced General Electronic-structure Library
bash-oo-framework
Bash Infinity is a modern boilerplate / framework / standard library for bash
hpc-submission-scripts
Example job submission scripts for HPC systems (PBS and SLURM)
psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
psi4numpy
Combining Psi4 and Numpy for education and development.
sympy
A computer algebra system written in pure Python
ugacc
PSI4 plugin for testing simple CC codes based on unitary-group formulation.
ashutoshvt's Repositories
ashutoshvt/hpc-submission-scripts
Example job submission scripts for HPC systems (PBS and SLURM)
ashutoshvt/adapt-vqe
ADAPT-VQE simulation code
ashutoshvt/ashutoshvt.github.io
ashutoshvt/autogen
Automatic Expression Generator Code using Wicks theorem for Quantum Chemical Theories
ashutoshvt/bagel
Brilliantly Advanced General Electronic-structure Library
ashutoshvt/psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
ashutoshvt/psi4numpy
Combining Psi4 and Numpy for education and development.
ashutoshvt/sympy
A computer algebra system written in pure Python
ashutoshvt/ugacc
PSI4 plugin for testing simple CC codes based on unitary-group formulation.
ashutoshvt/blis
BLAS-like Library Instantiation Software Framework
ashutoshvt/CCReorganization
ashutoshvt/fvno
ashutoshvt/HPCInfo
Information about many aspects of high-performance computing. There is content in the Wiki.
ashutoshvt/libint
Libint is a high-performance library for computing Gaussian integrals in quantum mechanics
ashutoshvt/libxm
C/C++ Tensor Library
ashutoshvt/nbody_driver
A python driver for many body expansion techniques
ashutoshvt/neural-networks-and-deep-learning
Code samples for my book "Neural Networks and Deep Learning"
ashutoshvt/Notebooks
Collection of Jupyter Notebooks
ashutoshvt/oop_sprint
ashutoshvt/planets
ashutoshvt/qforte
ashutoshvt/QM_2017_SSS_Team9
ashutoshvt/QM_2017_SSS_Team9-1
ashutoshvt/Research
ashutoshvt/Research_Work
ashutoshvt/SSS_2017_QuESt
The final project for the MolSSI 2017 summer school.
ashutoshvt/StochasticSchool
Materials used in a school on QMC methods
ashutoshvt/tblis
TBLIS is a library and framework for performing tensor operations, especially tensor contraction, using efficient native algorithms.
ashutoshvt/tiledarray
A massively-parallel, block-sparse tensor framework written in C++
ashutoshvt/WicksTheorem
Generalised Spin Free Wicks therem.