World's Best Scientists 2026 revealed!
David E. Manolopoulos

David E. Manolopoulos

D-Index & Metrics

Chemistry

D-Index
79
Citations
22782
World Ranking
3601
National Ranking
206

Research.com Recognitions

  • 2011 - Fellow of the Royal Society, United Kingdom
  • 1997 - Corday–Morgan Prize, Royal Society of Chemistry (UK)
  • 1995 - Marlow Award, Royal Society of Chemistry (UK)

Overview

David E. Manolopoulos is affiliated with the University of Oxford in the United Kingdom. Their research primarily spans the field of Physics and Astronomy, with a significant focus on Atomic and Molecular Physics, and Optics. Additional subfields of their work include Physical and Theoretical Chemistry, Materials Chemistry, Electrical and Electronic Engineering, and Molecular Biology.

The scientist's research topics cover a broad range of subjects within their main fields of study, including:

  • Spectroscopy and Quantum Chemical Studies
  • Advanced Chemical Physics Studies
  • Quantum, superfluid, helium dynamics
  • Strong Light-Matter Interactions
  • Photochemistry and Electron Transfer Studies
  • Molecular Junctions and Nanostructures
  • Photosynthetic Processes and Mechanisms

David E. Manolopoulos has published extensively in several scientific venues. Their most frequent publication venues include:

  • The Journal of Chemical Physics
  • arXiv (Cornell University)
  • Physical Chemistry Chemical Physics
  • The Journal of Physical Chemistry B
  • Science Advances

Among recent publications, notable papers include:

  • "Electronic structure software," 2020, The Journal of Chemical Physics
  • "A multi-state mapping approach to surface hopping," 2023, The Journal of Chemical Physics
  • "Vibrational strong coupling in liquid water from cavity molecular dynamics," 2023, The Journal of Chemical Physics
  • "Fast quasi-centroid molecular dynamics," 2021, The Journal of Chemical Physics
  • "Exciton dynamics from the mapping approach to surface hopping: comparison with Förster and Redfield theories," 2024, Physical Chemistry Chemical Physics

Frequent collaborators in their research include Johan E. Runeson, Todd J. Martínez, Joseph E. Lawrence, C. David Sherrill, and Angelos Michaelides. Johan E. Runeson appears as the most frequent coauthor, contributing to multiple papers alongside David E. Manolopoulos.

David E. Manolopoulos has been recognized with several awards, including:

  • Fellow of the Royal Society, United Kingdom, 2011
  • Corday-Morgan Prize, Royal Society of Chemistry (UK), 1997
  • Marlow Award, Royal Society of Chemistry (UK), 1995

Best Publications

  • An atlas of fullerenes

    P. W. Fowler;D. E. Manolopoulos

  • Quantum statistics and classical mechanics: Real time correlation functions from ring polymer molecular dynamics

    Ian R. Craig;David E. Manolopoulos

  • An improved log derivative method for inelastic scattering

    D. E. Manolopoulos

  • Ring-Polymer Molecular Dynamics: Quantum Effects in Chemical Dynamics from Classical Trajectories in an Extended Phase Space

    Scott Habershon;David E. Manolopoulos;Thomas E. Markland;Thomas F. Miller

  • ABC: a quantum reactive scattering program

    D. Skouteris;J.F. Castillo;D.E. Manolopoulos

  • Theoretical studies of the fullerenes: C34 to C70

    David E. Manolopoulos;Jonathan C. May;Sarah E. Down

  • Competing quantum effects in the dynamics of a flexible water model

    Scott Habershon;Thomas E. Markland;David E. Manolopoulos

  • A stable linear reference potential algorithm for solution of the quantum close‐coupled equations in molecular scattering theory

    Millard H. Alexander;David E. Manolopoulos

  • Chemical reaction rates from ring polymer molecular dynamics.

    Ian R. Craig;David E. Manolopoulos

  • Efficient stochastic thermostatting of path integral molecular dynamics.

    Michele Ceriotti;Michele Parrinello;Thomas E. Markland;David E. Manolopoulos

  • Molecular graphs, point groups, and fullerenes

    David E. Manolopoulos;Patrick W. Fowler

  • A refined ring polymer molecular dynamics theory of chemical reaction rates

    Ian R. Craig;David E. Manolopoulos

  • i-PI 2.0: A universal force engine for advanced molecular simulations

    Venkat Kapil;Mariana Rossi;Ondrej Marsalek;Ondrej Marsalek;Riccardo Petraglia

  • Resonance-mediated chemical reaction: F+HD-->HF+D

    Rex T. Skodje;Rex T. Skodje;Dimitris Skouteris;David E. Manolopoulos;Shih-Huang Lee

  • van der waals interactions in the Cl + HD reaction

    Dimitris Skouteris;David E. Manolopoulos;Wensheng Bian;Hans-Joachim Werner

  • An investigation of the F+H2 reaction based on a full ab initio description of the open-shell character of the F(2P) atom

    Millard H. Alexander;David E. Manolopoulos;Hans-Joachim Werner

  • The transition state of the f + h2 reaction.

    David E. Manolopoulos;Klaus Stark;Hans-Joachim Werner;Don W. Arnold

  • Derivation and reflection properties of a transmission-free absorbing potential

    David E. Manolopoulos

  • How to remove the spurious resonances from ring polymer molecular dynamics

    Mariana Rossi;Michele Ceriotti;David E. Manolopoulos

  • i-PI: A Python interface for ab initio path integral molecular dynamics simulations

    Michele Ceriotti;Joshua More;David E. Manolopoulos

  • Quantum mechanical angular distributions for the F+H2 reaction

    Jesus F. Castillo;David E. Manolopoulos;Klaus Stark;Hans‐Joachim Werner

Frequent Co-Authors

Patrick W. Fowler
Patrick W. Fowler University of Sheffield
Michele Ceriotti
Michele Ceriotti École Polytechnique Fédérale de Lausanne
P. J. Hore
P. J. Hore University of Oxford
Millard H. Alexander
Millard H. Alexander University of Maryland, College Park
Thomas F. Miller
Thomas F. Miller California Institute of Technology
Francesco Zerbetto
Francesco Zerbetto University of Bologna
Daniel M. Neumark
Daniel M. Neumark University of California, Berkeley
Hans-Joachim Werner
Hans-Joachim Werner University of Stuttgart
Giorgio Orlandi
Giorgio Orlandi University of Bologna

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 pursuing a Chemistry degree in the USA, exploring related fields can open diverse career opportunities. One popular avenue is forensic science, which blends chemistry with criminal investigations. Those aiming to deepen their expertise may consider a masters in forensic psychology online, a program that complements scientific knowledge with criminal behavior understanding.

Careers in forensics are growing, encompassing roles such as forensic chemist, crime scene investigator, or toxicologist. Hands-on application of chemical principles is crucial in solving crimes, making this field a natural extension for Chemistry graduates. To navigate this career path effectively, it’s helpful to explore current trends and opportunities in careers in forensics.

Additionally, criminal justice degrees provide a solid foundation for those interested in the legal implications of forensic work. Prospective students can find cost-effective options by reviewing tuition and fees associated with an criminal justice degree cost, balancing quality education with affordability.

Starting with an accredited online criminal justice associate degree can also be a strategic step. This pathway provides foundational knowledge and can lead to more advanced studies or direct entry into forensic-related positions, making it an excellent option for Chemistry students broadening their career horizons.

Best Scientists Citing David E. Manolopoulos

Trending Scientists

Recently Published Articles