The Berkelbach Group

Jason and Hong-Zhou's paper Can Spin-Component Scaled MP2 Achieve kJ/mol Accuracy for Cohesive Energies of Molecular Crystals? is published in J. Phys. Chem. Lett.! (tldr: no)

Interplay between Local Moment and Itinerant Magnetism in the Layered Metallic Antiferromagnet TaFe_1.14Te₃, a huge Columbia collaboration featuring DFT calculations by Sylvia, is published in Nano Lett.

Verena's paper Highly Accurate Electronic Structure of Metallic Solids from Coupled-Cluster Theory with Nonperturbative Triple Excitations is published in Phys. Rev. Lett.! See also the nice companion paper from Andreas Grüneis's group.

Room temperature wavelike exciton transport in a van der Waals superatomic semiconductor, with theory and calculations by Petra, is published in Science! So fortunate to have great collaborators in Columbia Chemistry in the Roy and Delor groups. [Columbia Quantum Press Release]

Our Columbia Center for Computational Electrochemistry paper Accurate quantum chemical reaction energies for lithium-mediated electrolyte decomposition and evaluation of density functional approximations, led by Sibali Debnath and Verena, is published in J. Phys. Chem. A.

Ethan's paper Performance of periodic EOM-CCSD for band gaps of inorganic semiconductors and insulators (with former postdoc Xiao Wang) is posted to the arXiv. We find that EOM-CCSD has a mean absolute error of about 0.4 eV over a range of materials—good, but plenty of room for improvement.

Two new and exciting papers on the arXiv from Hong-Zhou: Ab initio surface chemistry with chemical accuracy and CO Adsorption on the Surface of MgO from Periodic Coupled-Cluster Theory with Local Natural Orbitals: Adding to the Consensus.