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Chimia|April 28, 2017
Error Assessment of Computational Models in ChemistryGregor N Simm, Jonny Proppe, Markus ReiherJournal of Chemical Theory and Computation|December 9, 2015
Heuristics-Guided Exploration of Reaction MechanismsMaike Bergeler, Gregor N Simm, Jonny Proppe, et al.Faraday Discussions|October 13, 2016
Uncertainty quantification for quantum chemical models of complex reaction networksJonny Proppe, Tamara Husch, Gregor N Simm, et al.Journal of Chemical Theory and Computation|December 4, 2018
Mechanism Deduction from Noisy Chemical Reaction NetworksJonny Proppe, Markus ReiherJournal of Chemical Theory and Computation|June 6, 2017
Reliable Estimation of Prediction Uncertainty for Physicochemical Property ModelsJonny Proppe, Markus ReiherJournal of Chemical Theory and Computation|May 10, 2016
Systematic Error Estimation for Chemical Reaction EnergiesGregor N Simm, Markus ReiherJournal of Chemical Theory and Computation|October 31, 2017
Context-Driven Exploration of Complex Chemical Reaction NetworksGregor N Simm, Markus ReiherJournal of Chemical Theory and Computation|September 5, 2018
Error-Controlled Exploration of Chemical Reaction Networks with Gaussian ProcessesGregor N Simm, Markus ReiherJournal of Chemical Theory and Computation|April 4, 2018
Statistical Analysis of Semiclassical Dispersion CorrectionsThomas Weymuth, Jonny Proppe, Markus ReiherJournal of Chemical Theory and Computation|October 12, 2019
Gaussian Process-Based Refinement of Dispersion CorrectionsJonny Proppe, Stefan Gugler, Markus ReiherPageof 27