
Sandip De
15 posts

Sandip De
@SandipDeScience
principal scientist and head of inorganic materials model team @ #BASF working on #catalysis #MachineLearning | #Quantum #Chemistry || #ai



🚨Arslan's and @lopanits paper extending our high-entropy alloy potential to surfaces is now officially published on @JPhysMaterials iopscience.iop.org/article/10.108… All sorts of defective structures, for up to 25 elements *simultaneously* 🤩


Nuclear quantum effects enter the mainstream go.nature.com/2sZpPbq A Review article from Thomas Markland and Michele Ceriotti








Quantum ESPRESSO development moves to GitLab at gitlab.com/QEF/q-e. Instructions on how to contribute are in file CONTRIBUTING.md and will be clarified and extended in the next weeks. @QuantumESPRESSO @gitlab (but is still available at MaX user portal)





