Markus Meuwly
Orcid: 0000-0001-7930-8806
According to our database1,
Markus Meuwly
authored at least 20 papers
between 2005 and 2024.
Collaborative distances:
Collaborative distances:
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Bibliography
2024
J. Comput. Chem., 2024
<i>Asparagus</i>: A Toolkit for Autonomous, User-Guided Construction of Machine-Learned Potential Energy Surfaces.
CoRR, 2024
2022
Atomistic Simulations for Reactions and Spectroscopy in the Era of Machine Learning - Quo Vadis?
CoRR, 2022
2021
Machine Learning Product State Distributions from Initial Reactant States for a Reactive Atom-Diatom Collision System.
CoRR, 2021
2020
High-dimensional potential energy surfaces for molecular simulations: from empiricism to machine learning.
Mach. Learn. Sci. Technol., 2020
2017
Toolkit for the Construction of Reproducing Kernel-Based Representations of Data: Application to Multidimensional Potential Energy Surfaces.
J. Chem. Inf. Model., August, 2017
PLoS Comput. Biol., 2017
Correction to A Toolkit to Fit Nonbonded Parameters from and for Condensed Phase Simulations.
J. Chem. Inf. Model., 2017
2016
J. Chem. Inf. Model., 2016
2015
Quantum-chemistry based calibration of the alkali metal cation series (Li<sup>+</sup>-Cs<sup>+</sup>) for large-scale polarizable molecular mechanics/dynamics simulations.
J. Comput. Chem., 2015
2014
J. Comput. Chem., 2014
A supervised fitting approach to force field parametrization with application to the SIBFA polarizable force field.
J. Comput. Chem., 2014
2013
J. Chem. Inf. Model., 2013
2012
Atomic multipoles: Electrostatic potential fit, local reference axis systems, and conformational dependence.
J. Comput. Chem., 2012
2010
Force Field Optimization using Dynamics and Ensemble Averaged Data: Vibrational Spectra and Relaxation in Bound MbCO.
J. Chem. Inf. Model., 2010
2008
2006
Importance of individual side chains for the stability of a protein fold: Computational alanine scanning of the insulin monomer.
J. Comput. Chem., 2006
2005
Reactions in complex biologically relevant systems: challenges for computational approaches.
Future Gener. Comput. Syst., 2005
Proceedings of the Computational Life Sciences, First International Symposium, 2005