World's Best Scientists 2026 revealed!

D-Index & Metrics

Chemistry

D-Index
56
Citations
11088
World Ranking
11630
National Ranking
215

Overview

Markus Meuwly is affiliated with the University of Basel in Switzerland and has a substantial body of work in the fields of physics and astronomy, with particular emphasis on atomic and molecular physics, materials chemistry, spectroscopy, molecular biology, and computational theory and mathematics.

The main topics explored in Meuwly's research include:

  • Advanced Chemical Physics Studies
  • Machine Learning in Materials Science
  • Spectroscopy and Quantum Chemical Studies
  • Protein Structure and Dynamics
  • Spectroscopy and Laser Applications
  • Quantum, superfluid, helium dynamics
  • Computational Drug Discovery Methods

Recent publications authored or co-authored by Meuwly demonstrate a focus on machine learning applications in chemistry and molecular dynamics. Notable papers include:

  • "Machine Learning for Chemical Reactions" (2021) published in Chemical Reviews
  • "Neural network potentials for chemistry: concepts, applications and prospects" (2022) published in Digital Discovery
  • "Structure, Organization, and Heterogeneity of Water-Containing Deep Eutectic Solvents" (2022) published in Journal of the American Chemical Society
  • "CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed" (2024) published in The Journal of Physical Chemistry B
  • "Reactive dynamics and spectroscopy of hydrogen transfer from neural network-based reactive potential energy surfaces" (2020) published in New Journal of Physics

Frequent co-authors working alongside Meuwly include Silvan Käser, Meenu Upadhyay, Kai Töpfer, Luis Itza Vazquez-Salazar, and Eric D. Boittier. This network highlights interdisciplinary collaboration across various aspects of chemical physics and computational modeling.

Meuwly's work has been featured predominantly in venues such as:

  • arXiv (Cornell University)
  • The Journal of Chemical Physics
  • Zenodo (CERN European Organization for Nuclear Research)
  • Physical Chemistry Chemical Physics
  • The Journal of Physical Chemistry B

Best Publications

  • PhysNet: A Neural Network for Predicting Energies, Forces, Dipole Moments, and Partial Charges.

    Oliver T Unke;Markus Meuwly

  • Machine Learning for Chemical Reactions.

    Markus Meuwly

  • Allosteric Control of Cyclic di-GMP Signaling

    Beat Christen;Matthias Christen;Ralf Paul;Franziska Schmid

  • Study of the insulin dimerization: binding free energy calculations and per-residue free energy decomposition.

    Vincent Zoete;Markus Meuwly;Markus Meuwly;Martin Karplus;Martin Karplus

  • Charge migration and charge transfer in molecular systems

    Hans Jakob Wörner;Christopher A. Arrell;Natalie Banerji;Andrea Cannizzo

  • Morphing ab initio potentials: A systematic study of Ne–HF

    Markus Meuwly;Jeremy M. Hutson

  • Toolkit for the Construction of Reproducing Kernel-Based Representations of Data: Application to Multidimensional Potential Energy Surfaces

    Oliver Thorsten Unke;Markus Meuwly

  • NO rebinding to myoglobin: a reactive molecular dynamics study.

    Markus Meuwly;Oren M. Becker;Oren M. Becker;Roland Stote;Martin Karplus

  • Neural network potentials for chemistry: concepts, applications and prospects

    Unknown

  • Size Effects in Cluster Infrared Spectra: the .nu.1 Band of Arn-HCO+ (n = 1-13)

    S. A. Nizkorodov;O. Dopfer;T. Ruchti;M. Meuwly

  • Theoretical investigation of infrared spectra and pocket dynamics of photodissociated carbonmonoxy myoglobin

    David R. Nutt;Markus Meuwly

  • CO migration in native and mutant myoglobin: atomistic simulations for the understanding of protein function.

    David R. Nutt;Markus Meuwly

  • Collisional excitation rate coefficients of N2H+ by He

    F. Daniel;M.-L. Dubernet;M. Meuwly;J. Cernicharo

  • A reactive, scalable, and transferable model for molecular energies from a neural network approach based on local information.

    Oliver T Unke;Markus Meuwly

  • A combined experimental and computational study of dihydrido(phosphinooxazoline)iridium complexes.

    Clément Mazet;Sebastian P Smidt;Markus Meuwly;Andreas Pfaltz

  • The Role of Higher CO-Multipole Moments in Understanding the Dynamics of Photodissociated Carbonmonoxide in Myoglobin

    Nuria Plattner;Markus Meuwly

  • Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box size

    Krystel El Hage;Florent Hédin;Prashant K Gupta;Markus Meuwly

  • Simulation of proton transfer along ammonia wires: An ``ab initio'' and semiempirical density functional comparison of potentials and classical molecular dynamics

    Markus Meuwly;Martin Karplus

  • Double proton transfer in the isolated and DNA-embedded guanine-cytosine base pair

    Vincent Zoete;Markus Meuwly

  • A comparison of the dynamic behavior of monomeric and dimeric insulin shows structural rearrangements in the active monomer.

    Vincent Zoete;Markus Meuwly;Martin Karplus

  • Exploring copper(I)-based dye-sensitized solar cells: a complementary experimental and TD-DFT investigation

    Biljana Bozic-Weber;Valerie Chaurin;Edwin C. Constable;Catherine E. Housecroft

  • Multisurface Adiabatic Reactive Molecular Dynamics.

    Tibor Nagy;Juvenal Yosa Reyes;Markus Meuwly

Frequent Co-Authors

Martin Karplus
Martin Karplus Harvard University
Sergey A. Nizkorodov
Sergey A. Nizkorodov University of California, Irvine
John P. Maier
John P. Maier University of Basel
G. Ulrich Nienhaus
G. Ulrich Nienhaus Karlsruhe Institute of Technology
Peter Hamm
Peter Hamm University of Zurich
Otto Dopfer
Otto Dopfer Technical University of Berlin
Jeremy M. Hutson
Jeremy M. Hutson Durham University
Ursula Rothlisberger
Ursula Rothlisberger École Polytechnique Fédérale de Lausanne
Katharina M. Fromm
Katharina M. Fromm University of Fribourg
Majed Chergui
Majed Chergui École Polytechnique Fédérale de Lausanne

If you think any of the details on this page are incorrect, let us know.

Report an issue

We appreciate your kind effort to assist us to improve this page, it would be helpful providing us with as much detail as possible in the text box below:

Related Online Degrees & Career Pathways

For students interested in Chemistry, exploring related fields such as forensic science and criminal justice can open diverse career opportunities. An online master's degree in forensic psychology combines scientific principles with psychological insights to support criminal investigations and legal processes.

Many careers in this area fall under forensic careers, where professionals analyze physical evidence and apply chemistry knowledge in labs. This pathway often requires specialized education and training, making online degrees an accessible option.

Cost is a significant consideration when pursuing higher education. Understanding the criminal justice degree cost can help students budget effectively and choose programs that offer the best value for their investment.

For those beginning their journey, earning a criminal justice associate degree online is an excellent way to gain foundational knowledge and practical skills, potentially leading to entry-level positions or further study.

Best Scientists Citing Markus Meuwly

Trending Scientists