Markus Meuwly - RankMe

22 papers Journal 21Unranked 1

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	Asparagus: A toolkit for autonomous, user-guided construction of machine-learned potential energy surfaces. Comput. Phys. Commun. Kai Töpfer, Luis Itza Vazquez-Salazar, Markus Meuwly
2025	J	`jnl`	Augmenting Chemical Databases for Atomistic Machine Learning by Sampling Conformational Space. J. Chem. Inf. Model. Luis Itza Vazquez-Salazar, Markus Meuwly
2024	J	`jnl`	Outlier-Detection for Reactive Machine Learned Potential Energy Surfaces. CoRR Luis Itza Vazquez-Salazar, Silvan Käser, Markus Meuwly
2024	J	`jnl`	Systematic improvement of empirical energy functions in the era of machine learning. J. Comput. Chem. Mike Devereux, Eric D. Boittier, Markus Meuwly
2024	J	`jnl`	The Bigger the Better? Accurate Molecular Potential Energy Surfaces from Minimalist Neural Networks. CoRR Silvan Käser, Debasish Koner, Markus Meuwly
2022	J	`jnl`	Atomistic Simulations for Reactions and Spectroscopy in the Era of Machine Learning - Quo Vadis? CoRR Markus Meuwly
2021	J	`jnl`	Machine Learning Product State Distributions from Initial Reactant States for a Reactive Atom-Diatom Collision System. CoRR Julian Arnold, Juan Carlos San Vicente Veliz, Debasish Koner, Narendra Singh, Raymond J. Bemish, Markus Meuwly
2020	J	`jnl`	High-dimensional potential energy surfaces for molecular simulations: from empiricism to machine learning. Mach. Learn. Sci. Technol. Oliver T. Unke, Debasish Koner, Sarbani Patra, Silvan Käser, Markus Meuwly
2017	J	`jnl`	Correction to A Toolkit to Fit Nonbonded Parameters from and for Condensed Phase Simulations. J. Chem. Inf. Model. Florent Hédin, Krystel El Hage, Markus Meuwly
2017	J	`jnl`	Migration of small ligands in globins: Xe diffusion in truncated hemoglobin N. PLoS Comput. Biol. Polydefkis Diamantis, Oliver T. Unke, Markus Meuwly
2017	J	`jnl`	Toolkit for the Construction of Reproducing Kernel-Based Representations of Data: Application to Multidimensional Potential Energy Surfaces. J. Chem. Inf. Model. Oliver T. Unke, Markus Meuwly
2016	J	`jnl`	A Toolkit to Fit Nonbonded Parameters from and for Condensed Phase Simulations. J. Chem. Inf. Model. Florent Hédin, Krystel El Hage, Markus Meuwly
2015	J	`jnl`	Quantum-chemistry based calibration of the alkali metal cation series (Li J. Comput. Chem. Todor Dudev, Mike Devereux, Markus Meuwly, Carmay Lim, Jean-Philip Piquemal, Nohad Gresh
2014	J	`jnl`	A supervised fitting approach to force field parametrization with application to the SIBFA polarizable force field. J. Comput. Chem. Michael Devereux, Nohad Gresh, Jean-Philip Piquemal, Markus Meuwly
2014	J	`jnl`	Toward force fields for atomistic simulations of iridium-containing complexes. J. Comput. Chem. Franziska D. Hofmann, Michael Devereux, Andreas Pfaltz, Markus Meuwly
2013	J	`jnl`	Deriving Static Atomic Multipoles from the Electrostatic Potential. J. Chem. Inf. Model. Christian Kramer, Tristan Bereau, Alexander Spinn, Klaus R. Liedl, Peter Gedeck, Markus Meuwly
2012	J	`jnl`	Atomic multipoles: Electrostatic potential fit, local reference axis systems, and conformational dependence. J. Comput. Chem. Christian Kramer, Peter Gedeck, Markus Meuwly
2010	J	`jnl`	Force Field Optimization using Dynamics and Ensemble Averaged Data: Vibrational Spectra and Relaxation in Bound MbCO. J. Chem. Inf. Model. Michael Devereux, Markus Meuwly
2008	J	`jnl`	Reactive force fields for proton transfer dynamics. J. Comput. Chem. Sven Lammers, Stephan Lutz, Markus Meuwly
2006	J	`jnl`	Importance of individual side chains for the stability of a protein fold: Computational alanine scanning of the insulin monomer. J. Comput. Chem. Vincent Zoete, Markus Meuwly
2005	—	`conf`	Efficiency Considerations in Solving Smoluchowski Equations for Rough Potentials. CompLife Polina V. Banushkina, Olaf Schenk, Markus Meuwly
2005	J	`jnl`	Reactions in complex biologically relevant systems: challenges for computational approaches. Future Gener. Comput. Syst. Markus Meuwly