Here is our newest contribution to the zoo of density functional approximations. J. Chem. Phys. 154, 061101 (2021)It’s a collaboration with John P. Perdew and coworkers from University of Bonn, Tulane University, Temple University as well as Dassaults Systèmes. We
A collaborative study with my colleagues from Turin University just appeared online at the Journal of Chemical Theory and Computation. In the article “Assessment of Different Quantum Mechanical Methods for the Prediction of Structure and Cohesive Energy of Molecular Crystals”
I just introduced myself to the Thomas Young Center with a talk on “Organic crystal modeling: A hierarchy of quantum chemical methods”. [pdf of talk]
