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Chemistry

D-Index
78
Citations
20755
World Ranking
3826
National Ranking
219

Overview

Michiel Sprik is affiliated with the University of Cambridge in the United Kingdom. Their research interests span multiple fields and subfields, primarily focusing on engineering and chemistry.

The main fields of study for Sprik include:

  • Engineering
  • Chemistry

The subfields in which Sprik has contributed include:

  • Materials Chemistry
  • Electrochemistry
  • Biomedical Engineering
  • Electrical and Electronic Engineering
  • Renewable Energy, Sustainability and the Environment

Among the main research topics covered by Sprik are:

  • Electrochemical Analysis and Applications
  • Electrostatics and Colloid Interactions
  • Electrocatalysts for Energy Conversion
  • Material Dynamics and Properties
  • Analytical Chemistry and Sensors
  • Spectroscopy and Quantum Chemical Studies
  • Characterization and Applications of Magnetic Nanoparticles

Sprik has published articles in several venues, frequently contributing to:

  • The Journal of Chemical Physics
  • arXiv (Cornell University)
  • Molecular Physics
  • Zenodo (CERN European Organization for Nuclear Research)
  • Journal of Physics Energy

Recent papers authored or co-authored by Sprik include:

  • Modelling electrochemical systems with finite field molecular dynamics (2020), published in Journal of Physics Energy
  • Computational Amperometry of Nanoscale Capacitors in Molecular Simulations (2021), published in The Journal of Physical Chemistry Letters
  • Computing Surface Acidity Constants of Proton Hopping Groups from Density Functional Theory-Based Molecular Dynamics: Application to the SnO2(110)/H2O Interface (2020), published in Journal of Chemical Theory and Computation
  • Thermodynamic Investigation of Proton/Electron Interplay on the Pourbaix Diagram at the TiO2/Electrolyte Interface (2020), published in The Journal of Physical Chemistry C
  • Electromechanics of the liquid water vapour interface (2020), published in Apollo (University of Cambridge)

Frequent collaborators include:

  • Chao Zhang
  • Jürg Hutter
  • Thomas Dufils
  • Mathieu Salanne
  • Jun Cheng

Best Publications

  • Free energy from constrained molecular dynamics

    Michiel Sprik;Giovanni Ciccotti

  • Ab initio molecular dynamics simulation of the solvation and transport of hydronium and hydroxyl ions in water

    M. Tuckerman;K. Laasonen;K. Laasonen;M. Sprik;M. Parrinello

  • ‘‘Ab initio’’ liquid water

    Kari Laasonen;M. Sprik;M. Parrinello;Roberto Car

  • Ab initio molecular dynamics simulation of the solvation and transport of H3O+ and OH- ions in water

    Mark Tuckerman;Kari Laasonen;Michiel Sprik;Michele Parrinello;Michele Parrinello

  • Ab initio molecular dynamics simulation of liquid water: Comparison of three gradient‐corrected density functionals

    Michiel Sprik;Jürg Hutter;Michele Parrinello

  • A polarizable model for water using distributed charge sites

    Michiel Sprik;Michael L. Klein

  • The influence of temperature and density functional models in ab initio molecular dynamics simulation of liquid water

    Joost VandeVondele;Fawzi Mohamed;Fawzi Mohamed;Fawzi Mohamed;Matthias Krack;Matthias Krack;Matthias Krack;Jürg Hutter;Jürg Hutter;Jürg Hutter

  • Molecular model for aqueous ferrous–ferric electron transfer

    Robert A. Kuharski;Joel S. Bader;David Chandler;Michiel Sprik

  • Influence of surface topology and electrostatic potential on water/electrode systems

    J. Ilja Siepmann;Michiel Sprik

  • The Silica-Water Interface: How the Silanols Determine the Surface Acidity and Modulate the Water Properties.

    Marialore Sulpizi;Marie-Pierre Gaigeot;Marie-Pierre Gaigeot;Michiel Sprik

  • New generalized gradient approximation functionals

    A. Daniel Boese;Nikos L. Doltsinis;Nicholas C. Handy;Michiel Sprik

  • Liquid Water from First Principles: Investigation of Different Sampling Approaches

    I-Feng W. Kuo;Christopher J. Mundy;Matthew J. Mcgrath;J. Ilja Siepmann

  • Ab Initio Molecular Dynamics Computation of the Infrared Spectrum of Aqueous Uracil

    Marie-Pierre Gaigeot†;Michiel Sprik

  • A density‐functional study of the intermolecular interactions of benzene

    Evert Jan Meijer;Michiel Sprik

  • Alignment of electronic energy levels at electrochemical interfaces.

    Jun Cheng;Michiel Sprik

  • COMPUTER-SIMULATION OF THE DYNAMICS OF INDUCED POLARIZATION FLUCTUATIONS IN WATER

    Michiel Sprik

  • Redox potentials and acidity constants from density functional theory based molecular dynamics.

    Jun Cheng;Xiandong Liu;Xiandong Liu;Joost VandeVondele;Marialore Sulpizi

  • Acidity of edge surface sites of montmorillonite and kaolinite

    Xiandong Liu;Xiandong Liu;Xiancai Lu;Michiel Sprik;Jun Cheng

  • Electronic structure and solvation of copper and silver ions: a theoretical picture of a model aqueous redox reaction

    Jochen Blumberger;Leonardo Bernasconi;Ivano Tavernelli;Rodolphe Vuilleumier

  • Staging: A sampling technique for the Monte Carlo evaluation of path integrals

    Michiel Sprik;Michael L. Klein;David Chandler

  • Computation of the pK of liquid water using coordination constraints

    Michiel Sprik

Frequent Co-Authors

Jun Cheng
Jun Cheng Xiamen University
Michael L. Klein
Michael L. Klein Temple University
Jochen Blumberger
Jochen Blumberger University College London
Jürg Hutter
Jürg Hutter University of Zurich
Marie-Pierre Gaigeot
Marie-Pierre Gaigeot University of Évry Val d'Essonne
Kari Laasonen
Kari Laasonen Aalto University
Rodolphe Vuilleumier
Rodolphe Vuilleumier École Normale Supérieure
Mathieu Salanne
Mathieu Salanne Sorbonne University

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