An automated framework for exploring and learning potential-energy surfaces
Published by
Nature Communications
Summary
journal-article
Can simple exchange heuristics guide us in predicting magnetic properties of solids?
Summary
preprint
Atomate2: modular workflows for materials science
Published by
Digital Discovery
Summary
journal-article
LobsterPy: A package to automatically analyze LOBSTER runs
Published by
Journal of Open Source Software
Summary
journal-article
A Quantum-Chemical Bonding Database for Solid-State Materials
Published by
Scientific Data
Summary
journal-article
Automated Bonding Analysis with Crystal Orbital Hamilton Populations
Published by
ChemPlusChem
Summary
journal-article
Automated Bonding Analysis with Crystal Orbital Hamilton Populations
Published by
ChemPlusChem
Summary
journal-article
Front Cover: Automated Bonding Analysis with Crystal Orbital Hamilton Populations (ChemPlusChem 11/2022)
Published by
ChemPlusChem
Summary
journal-article
Investigations on electron beam irradiated rare-earth doped SrF2 for application as low fading dosimeter material: evidence for and DFT simulation of a radiation-induced phase
Published by
Journal of Materials Chemistry C
Summary
journal-article
Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials