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International Journal of Molecular Sciences|August 10, 2024
Multi-Level Protocol for Mechanistic Reaction Studies Using Semi-Local Fitted Potential Energy SurfacesTomislav Piskor, Peter Pinski, Thilo Mast, et al.The Journal of Chemical Physics|May 3, 2019
Analytical gradient for the domain-based local pair natural orbital second order Møller-Plesset perturbation theory method (DLPNO-MP2)Peter Pinski, Frank NeeseThe Journal of Chemical Physics|January 22, 2018
Communication: Exact analytical derivatives for the domain-based local pair natural orbital MP2 method (DLPNO-MP2)Peter Pinski, Frank NeeseJournal of Chemical Theory and Computation|November 19, 2015
Reactive Many-Body Expansion for a Protonated Water ClusterPeter Pinski, Gábor CsányiPhysical Chemistry Chemical Physics : PCCP|May 29, 2019
What accounts for the different functions in photolyases and cryptochromes: a computational study of proton transfers to FADDaniel Holub, Tomáš Kubař, Thilo Mast, et al.Proceedings of the National Academy of Sciences of the United States of America|September 25, 2021
O to bR transition in bacteriorhodopsin occurs through a proton hole mechanismDenis Maag, Thilo Mast, Marcus Elstner, et al.The Journal of Chemical Physics|July 24, 2015
Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. I. An efficient and simple linear scaling local MP2 method that uses an intermediate basis of pair natural orbitalsPeter Pinski, Christoph Riplinger, Edward F Valeev, et al.Journal of Chemical Theory and Computation|October 20, 2023
Assessment of DLPNO-MP2 Approximations in Double-Hybrid DFTHagen Neugebauer, Peter Pinski, Stefan Grimme, et al.The Journal of Chemical Physics|January 17, 2016
Sparse maps--A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theoryChristoph Riplinger, Peter Pinski, Ute Becker, et al.The Journal of Chemical Physics|April 17, 2016
SparseMaps--A systematic infrastructure for reduced-scaling electronic structure methods. IV. Linear-scaling second-order explicitly correlated energy with pair natural orbitalsFabijan Pavošević, Peter Pinski, Christoph Riplinger, et al.Pageof 2