843 citations · 3.7k across the 35 of their papers we have counts for
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physics.chem-ph2012★ 37 cited
Impact of vibrational entropy on the stability of unsolvated peptide helices with increasing length
Mariana Rossi, Volker Blum, Matthias Scheffler
Helices are a key folding motif in protein structure. The question which factors determine helix stability for a given polypeptide or protein is an ongoing challenge. Here we use v…
physics.atm-clus2012★ 745 cited
Resolution-of-identity approach to Hartree-Fock, hybrid density functionals, RPA, MP2, and \textit{GW} with numeric atom-centered orbital basis functions
Xinguo Ren, Patrick Rinke, Volker Blum +5
Efficient implementations of electronic structure methods are essential for first-principles modeling of molecules and solids. We here present a particularly efficient common frame…