zulissi/zulissi.github.io
A beautiful, simple, clean, and responsive Jekyll theme for academics
Repositories
zulissi/ocp
https://opencatalystproject.org/
zulissi/fireworks
The Fireworks Workflow Management Repo.
zulissi/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
zulissi/vasp
New ASE compliant Python interface to VASP
zulissi/techela
Techela in a Flask
zulissi/cgcnn
Crystal graph convolutional neural networks for predicting material properties.
zulissi/f19-06625
Course repository for Chemical and Reactive Systems (06-625) at CMU, Fall 2019
zulissi/dft-book-espresso
New version of dft-book for Quantum Espresso
zulissi/SIMPLE-NN
SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
zulissi/NuclearityCalculation
A set of functions for surface nuclearity calculations using GASPy-dev and pymatgen
zulissi/Open-Catalyst-Dataset
Workflow for creating and analyzing the Open Catalyst Dataset
zulissi/schnet_train_example
zulissi/amptorch
AMPTorch: Atomistic Machine Learning Package (AMP) - PyTorch
zulissi/Awesome-CV
:page_facing_up: Awesome CV is LaTeX template for your outstanding job application
zulissi/purpleair_ifttt
zulissi/ceph
Ceph is a distributed object, block, and file storage platform
zulissi/xtb
Semiempirical Extended Tight-Binding Program Package
zulissi/plumed_ipi_ase_example
zulissi/ase-espresso
ase interface for Quantum Espresso