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Chemistry

D-Index
49
Citations
6963
World Ranking
14996
National Ranking
836

Overview

Michael J. Bearpark is affiliated with Imperial College London in the United Kingdom. Their research spans multiple fields within physical sciences and molecular biology, with a focus on advanced chemical physics and spectroscopy.

Their main fields of study include:

  • Physics and Astronomy
  • Biochemistry, Genetics and Molecular Biology

Bearpark's work delves into specific subfields such as:

  • Atomic and Molecular Physics, and Optics
  • Molecular Biology
  • Materials Chemistry
  • Cellular and Molecular Neuroscience
  • Physical and Theoretical Chemistry

The main research topics they cover comprise:

  • Advanced Chemical Physics Studies
  • DNA and Nucleic Acid Chemistry
  • Spectroscopy and Quantum Chemical Studies
  • Laser-Matter Interactions and Applications
  • Photoreceptor and optogenetics research
  • Photochemistry and Electron Transfer Studies
  • Scientific Computing and Data Management

Frequent collaborators in Bearpark's publications include Javier Segarra-Martí, Michael A. Robb, J. P. Marangos, T. Barillot, and Oliver Alexander.

Their research has been published in a variety of venues, notably:

  • ChemPhysChem
  • Physical Chemistry Chemical Physics
  • arXiv (Cornell University)
  • The Journal of Open Source Software
  • Physical Review X

Selected recent papers exemplify the topics and methodologies involved in Bearpark's work. These include:

  • Correlation-driven transient hole dynamics resolved in space and time in the isopropanol molecule, 2021, arXiv (Cornell University)
  • CHAMP is a HPC Access and Metadata Portal, 2022, The Journal of Open Source Software
  • Correlation-Driven Transient Hole Dynamics Resolved in Space and Time in the Isopropanol Molecule, 2021, Physical Review X
  • Radical-Triggered Reaction Mechanism of the Green-to-Red Photoconversion of EosFP, 2020, The Journal of Physical Chemistry B
  • How electronic superpositions drive nuclear motion following the creation of a localized hole in the glycine radical cation, 2022, The Journal of Chemical Physics

These publications reflect engagement with fundamental chemical physics phenomena, molecular photochemistry, and computational approaches to chemical dynamics. Their work also intersects with computational infrastructure for scientific research, as seen in the publication on HPC access and metadata management.

Best Publications

  • A direct method for the location of the lowest energy point on a potential surface crossing

    Michael J. Bearpark;Michael A. Robb;H. Bernhard Schlegel

  • The Azulene S1 State Decays via a Conical Intersection: A CASSCF Study with MMVB Dynamics

    Michael J. Bearpark;Fernando Bernardi;Simon Clifford;Massimo Olivucci

  • Can Diarylethene Photochromism Be Explained by a Reaction Path Alone? A CASSCF Study with Model MMVB Dynamics

    Martial Boggio-Pasqua;Marcella Ravaglia;Michael J. Bearpark;Marco Garavelli

  • Electron Dynamics upon Ionization of Polyatomic Molecules: Coupling to Quantum Nuclear Motion and Decoherence.

    Morgane Vacher;Michael J. Bearpark;Michael A. Robb;João Pedro Malhado

  • Relaxation Paths from a Conical Intersection: The Mechanism of Product Formation in the Cyclohexadiene/Hexatriene Photochemical Interconversion

    Marco Garavelli;Paolo Celani;Monica Fato;Michael J. Bearpark

  • Cooperating Rings in cis-Stilbene Lead to an S0/S1 Conical Intersection

    Michael J. Bearpark;Fernando Bernardi;Simon Clifford;Massimo Olivucci

  • Can Fulvene S1 Decay Be Controlled? A CASSCF Study with MMVB Dynamics

    Michael J. Bearpark;Fernando Bernardi;Massimo Olivucci;Michael A. Robb, ,† and

  • New Algorithms for Optimizing and Linking Conical Intersection Points.

    Fabrizio Sicilia;Lluís Blancafort;Michael J Bearpark;Michael A Robb

  • Non-adiabatic dynamics close to conical intersections and the surface hopping perspective

    João Pedro Malhado;Michael J. Bearpark;James T. Hynes;James T. Hynes

  • ‘Classical wavepacket’ dynamics through a conical intersection. Application to the S1/S0 photochemistry of benzene

    Barry R. Smith;Michael J. Bearpark;Michael A. Robb;Fernando Bernardi

  • A computational strategy for geometry optimization of ionic and covalent excited states, applied to butadiene and hexatriene

    Martial Boggio-Pasqua;Michael J. Bearpark;Michael Klene;Michael A. Robb

  • Nonequilibrium Fermi golden rule for electronic transitions through conical intersections.

    Artur F. Izmaylov;David Mendive-Tapia;Michael J. Bearpark;Michael A. Robb

  • Dihydroazulene/vinylheptafulvene photochromism: A model for one-way photochemistry via a conical intersection

    Martial Boggio-Pasqua;Michael J Bearpark;Patricia A Hunt;Michael A Robb

  • Molecular mechanics valence bond methods for large active spaces. Application to conjugated polycyclic hydrocarbons

    Michael J. Bearpark;Michael A. Robb;Fernando Bernardi;Massimo Olivucci

  • Excited‐State Decay in the Photoisomerisation of Azobenzene: A New Balance between Mechanisms

    Unknown

  • Magnetic properties of organic molecular crystals via an algebraic Heisenberg Hamiltonian. Applications to WILVIW, TOLKEK, and KAXHAS nitronyl nitroxide crystals

    Mercè Deumal;Michael J. Bearpark;Juan J. Novoa;Michael A. Robb

  • Conical intersections: A perspective on the computation of spectroscopic Jahn-Teller parameters and the degenerate 'intersection space'.

    Martin J. Paterson;Michael J. Bearpark;Michael A. Robb;Lluís Blancafort

  • Coupled electron-nuclear dynamics: charge migration and charge transfer initiated near a conical intersection.

    David Mendive-Tapia;Morgane Vacher;Michael J. Bearpark;Michael A. Robb

  • Direct versus mediated through-space magnetic interactions: A first principles, bottom-up reinvestigation of the magnetism of the pyridyl-verdazyl:hydroquinone molecular co-crystal.

    Joaquim Jornet;Mercè Deumal;Jordi Ribas-Ariño;Michael J. Bearpark

  • An analytical second-order description of the S 0 /S 1 intersection seam: fulvene revisited

    Fabrizio Sicilia;Michael J. Bearpark;Lluìs Blancafort;Michael A. Robb

  • Mixed state `on the fly' non-adiabatic dynamics: the role of the conical intersection topology

    Stéphane Klein;Michael J. Bearpark;Barry R. Smith;Michael A. Robb

Frequent Co-Authors

Michael A. Robb
Michael A. Robb Imperial College London
Christoph Bostedt
Christoph Bostedt Paul Scherrer Institute
Thom Vreven
Thom Vreven Visterra (United States)
Michael J. Frisch
Michael J. Frisch Gaussian Inc.
Juan J. Novoa
Juan J. Novoa University of Barcelona
Jonathan W. Steed
Jonathan W. Steed Durham University
Massimo Olivucci
Massimo Olivucci University of Siena
Marco Garavelli
Marco Garavelli University of Bologna
Philip H. Bucksbaum
Philip H. Bucksbaum SLAC National Accelerator Laboratory
Fernando Bresme
Fernando Bresme Imperial College London

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