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Annual Review of Physical Chemistry|February 28, 2020
The Exploration of Chemical Reaction NetworksJan P Unsleber, Markus ReiherJournal of Computational Chemistry|December 21, 2023
Automated preparation of nanoscopic structures: Graph-based sequence analysis, mismatch detection, and pH-consistent protonation with uncertainty estimatesKatja-Sophia Csizi, Markus ReiherJournal of Chemical Theory and Computation|October 31, 2017
Context-Driven Exploration of Complex Chemical Reaction NetworksGregor N Simm, Markus ReiherFaraday Discussions|October 24, 2014
Studying chemical reactivity in a virtual environmentMoritz P Haag, Markus ReiherJournal of Chemical Theory and Computation|May 28, 2025
Automated Microsolvation for Minimum Energy Path Construction in SolutionPaul L Türtscher, Markus ReiherJournal of Chemical Theory and Computation|September 5, 2018
Error-Controlled Exploration of Chemical Reaction Networks with Gaussian ProcessesGregor N Simm, Markus ReiherPhysical Chemistry Chemical Physics : PCCP|January 14, 2011
New electron correlation theories for transition metal chemistryKonrad H Marti, Markus ReiherJournal of Chemical Theory and Computation|February 17, 2017
Steering Orbital Optimization out of Local Minima and Saddle Points Toward Lower EnergyAlain C Vaucher, Markus ReiherChimia|July 2, 2014
Determining factors for the accuracy of DMRG in chemistrySebastian F Keller, Markus ReiherPageof 27