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Markus Meuwly

University of Basel

Switzerland

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Professors in Switzerland Professors in Condensed Matter Physics Condensed Matter Physics professors in Switzerland

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Collaborators (15)

Stefan Willitsch

Professor at University of Basel

University of Basel

SWITZERLAND

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Meenu Upadhyay

University of Basel

SWITZERLAND

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Debasish Koner

Assistant Professor

Indian Institute of Technology Hyderabad

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Kai Töpfer

University of Basel

SWITZERLAND

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Ardita Kilaj

Principal scientist / Lab head

Novartis Institutes for BioMedical Research Basel

SWITZERLAND

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Gerrit Groenenboom

Professor

Radboud Universiteit Nijmegen

NETHERLANDS

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Martin Karplus

Harvard University

UNITED STATES

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Patrik Straňák

Fraunhofer Institute for Applied Solid State Physics

GERMANY

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Adriana Caracciolo

Formation Continue UNIL-EPFL

SWITZERLAND

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Maria Drosou

CNRS Researcher

Aix-Marseille University

FRANCE

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Ad van der Avoird

Professor emeritus

NETHERLANDS

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Lawrence D. Ziegler

UNITED STATES

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Daniel Reich

Freie Universität Berlin

GERMANY

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Christiane Koch

University professor

Freie Universität Berlin

GERMANY

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Timothy Minton

Professor

University of Colorado Boulder

UNITED STATES

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Markus Meuwly

Research Interests

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Articles (40)

Full-Dimensional Reactive Potential Energy Surfaces of OCS+ for S+ Dissociation: Ground and Excited States

Explicit, Machine-Learned Two-Body Potentials for Molecular Simulations

Tripeptide dynamics from empirical and machine-learned energy functions

Toward Quantitative Reaction Dynamics of O3

Reaction Pathway Dynamics for Atmospheric Decomposition Reactions: Unimolecular Dissociation of H2COO

High-Accuracy Molecular Simulations with Machine-Learning Potentials and Semiclassical Approximations to Quantum Dynamics

Compact Kernel/Neural Network Representation for Accurate, Fast, and Global Reactive Molecular Potential Energy Surfaces

Efficient and Equivariant Prediction of Distributed Charges for Accurate Molecular Electrostatics

Structure and Spectroscopy of Criegee Intermediates in Gas‐ and Aqueous Environments

Design, assessment, and application of machine learning potential energy surfaces

Boosting Computational Catalysis and Chemical Reactivity with Artificial Intelligence

Charge-partition pathways in strong-field photoionization of carbonyl sulfide monomers and dimers

Photodissociation dynamics of energized H2COO: Formation of molecular products

Reaction Dynamics of the H + HeH+ → He + H2+ System

Roadmap to CCSD(T)-Quality Machine-Learned Potentials for Condensed Phase Simulations

Augmenting Chemical Databases for Atomistic Machine Learning by Sampling Conformational Space

High-energy reaction dynamics of O3

Reaction dynamics for the [NNO] system from state-resolved and coarse-grained models

Feshbach Resonances in Cold Collisions: Benchmarking State-of-the-Art Ab Initio Potential Energy Surfaces

Enhancing Empirical Energy Functions Using Physics‐ and Machine Learning‐Based Extensions: Structure, Dynamics and Spectroscopy of Modified Benzenes

Improving potential energy surfaces using measured Feshbach resonance states

Kernel-Based Minimal Distributed Charges: A Conformationally Dependent ESP-Model for Molecular Simulations

CO2 and NO2 formation on amorphous solid water

Systematic improvement of empirical energy functions in the era of machine learning

SCN as a local probe of protein structural dynamics

High-Energy Reaction Dynamics of N3

Numerical Accuracy Matters: Applications of Machine Learned Potential Energy Surfaces

OH-Formation following vibrationally induced reaction dynamics of H2COO

Tomography of Feshbach resonance states

Conformational and state-specific effects in reactions of 2,3-dibromobutadiene with Coulomb-crystallized calcium ions

Molecular Simulation for Atmospheric Reactions: Non-Equilibrium Dynamics, Roaming, and Glycolaldehyde Formation following Photoinduced Decomposition of <i>syn-</i>Acetaldehyde Oxide

Water dynamics around T vs R4 of hemoglobin from local hydrophobicity analysis

PhysNet meets CHARMM: A framework for routine machine learning/molecular mechanics simulations

Molecular-level understanding of the rovibrational spectra of N2O in gaseous, supercritical, and liquid SF6 and Xe

Neural network potentials for chemistry: concepts, applications and prospects

Transfer-learned potential energy surfaces: Toward microsecond-scale molecular dynamics simulations in the gas phase at CCSD(T) quality

Interaction at a distance: Xenon migration in Mb

Local Hydration Control and Functional Implications Through S-Nitrosylation of Proteins: Kirsten Rat Sarcoma Virus (K-RAS) and Hemoglobin (Hb)

Low-temperature kinetics for the N + NO reaction: experiment guides the way

Experimental and Theoretical Studies of Hyperthermal N + O2 Collisions

Collaborators (15)

Stefan Willitsch

Meenu Upadhyay

Debasish Koner

Kai Töpfer

Ardita Kilaj

Gerrit Groenenboom

Martin Karplus

Patrik Straňák

Adriana Caracciolo

Maria Drosou

Ad van der Avoird

Lawrence D. Ziegler

Daniel Reich

Christiane Koch

Timothy Minton

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