Digital Alchemy#
Welcome to Digital Alchemy, your comprehensive guidebook to computational material science. Designed to empower students, and industry professionals, our website provides a wealth of invaluable resources on the practical applications of various simulation software tools. Through detailed how-to-use and installation guides, we aim to simplify the intricate processes getting set up and jumpstart the journey of your research and development endeavors.
What is Digital Alchemy?#
Digital Alchemy is a collection of tutorials and guides on how to use certain softwares for simulating materials. The main purpose is provide a reproducable set of instructions in creating consistent working environment across multiple platforms.
Which software are covered?#
Quantum Espresso
DFTB+
GOFEE via AGOX package
Atomic simulation environment (ASE)
Catlearn