AiiDA Team on Twitter: "Check out our new paper on common AiiDA workflows for materials properties via 11 different quantum codes: identical input/output format and fully automatic parameter choice! npj Comput. Mater.
Dishant Beniwal - PhD Research Scholar - Indian Institute of Technology, Ropar | LinkedIn
Common workflows for computing material properties using different quantum engines ‒ LSMO ‐ EPFL
Welcome to MaJing Group
Active learning for accelerated design of layered materials | npj Computational Materials
Volker Deringer on Twitter: "Here's an overview of quality metrics - comparing the new ML potential to empirical ones, and emphasising how tricky it is to find "the best" #compchem method for
Midwest Integrated Center for Computational Materials - Home
Computational Chemistry Methods for Nanoporous Materials | Chemistry of Materials
Binghamton University Physics | Physics | Binghamton University
npj Computational Materials
CEST and SIN publish new paper on npj Computational Materials | Aalto University
npj Computational Materials
Midwest Integrated Center for Computational Materials - Home
Volker Deringer on Twitter: "Silica (SiO2) is among the most abundant materials. So it seems like a good target for building an accurate #MachineLearning interatomic potential model! A short thread on our