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Physical Chemistry Chemical Physics : PCCP|May 27, 2022
Double proton transfer in hydrated formic acid dimer: Interplay of spatial symmetry and solvent-generated force on reactivityKai Töpfer, Silvan Käser, Markus MeuwlyJournal of Chemical Information and Modeling|August 4, 2025
Augmenting Chemical Databases for Atomistic Machine Learning by Sampling Conformational SpaceLuis Itza Vazquez-Salazar, Markus MeuwlyJournal of Managed Care & Specialty Pharmacy|February 27, 2026
Predicting early discontinuation of adalimumab in patients with rheumatoid arthritis using machine learning: A specialty pharmacy-based approachAngie H Yoon, Peter Gedeck, Marlette OelofsenThe Journal of Chemical Physics|August 7, 2010
Spatial averaging for small molecule diffusion in condensed phase environmentsNuria Plattner, J D Doll, Markus MeuwlyFaraday Discussions|February 10, 2011
Structural and spectroscopic characterization of mixed planetary icesNuria Plattner, Myung Won Lee, Markus MeuwlyThe Journal of Physical Chemistry. B|February 7, 2019
Effect of Single-Point Mutations on Nitric Oxide Rebinding and the Thermodynamic Stability of MyoglobinPolydefkis Diamantis, Krystel El Hage, Markus MeuwlyThe Journal of Physical Chemistry. B|February 23, 2022
Solvent Effects on the Menshutkin ReactionHaydar Taylan Turan, Sebastian Brickel, Markus MeuwlyJournal of Chemical Theory and Computation|June 20, 2025
Transfer Learning for Predictive Molecular Simulations: Data-Efficient Potential Energy Surfaces at CCSD(T) AccuracySilvan Käser, Jeremy O Richardson, Markus MeuwlyJournal of Chemical Theory and Computation|November 19, 2015
Multisurface Adiabatic Reactive Molecular DynamicsTibor Nagy, Juvenal Yosa Reyes, Markus MeuwlyThe Journal of Physical Chemistry. A|June 10, 2020
Dynamics on Multiple Potential Energy Surfaces: Quantitative Studies of Elementary Processes Relevant to HypersonicsDebasish Koner, Raymond J Bemish, Markus MeuwlyPageof 34