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Computational Molecular Science 2019

Computational Molecular Science 2019

Many thanks to all speakers, attendees and all our sponsors for making CMS2019 a great success!


The 6th Computational Molecular Science (CMS) meeting will be held at the University of Warwick (Warwickshire, UK), from March 27th to March 29th 2019.

This biennial event has been running for more than a decade, and on this occasion will feature five sessions encompassing a diverse array of topics, from machine learning to simulations of soft and biological matter, from quantum chemistry methods to energy materials and interfaces.

Conference foto

Sponsored by:



warwick_materials_logo.jpeg nngrp energy

Registration Fee:

£550 for academics and PostDocs and £400 for PhD students.

The registration fee is "all in" and includes accommodation, all meals, conference, dinner, refreshments, etc.

Abstract Submission Deadline: 21.12.2018
Conference Registration Deadline: 18.01.2019

!! Abstracts Submission & Registration are closed now!

Sessions and Keynote Speakers
  • Session 1: Energy Materials and Interfaces. Keynote speaker: Giulia Galli (The University of Chicago, USA)
  • Session 2: Advances in Quantum Chemistry. Keynote speaker: Frank Neese (Max Planck Institut für Kohlenforschung, Mülheim an der Ruhr, DE)
  • Session 3: Density Functional Theory - Methods and Applications. Keynote speaker: Kieron Burke (The University of California - Irvine, USA)
  • Session 4: Simulations of Soft and Biological Matter. Keynote speaker: Adrian Mulholland (The University of Bristol, UK)
  • Session 5: Machine Learning. Keynote speaker: Alexandre Tkatchenko (University of Luxembourg, L)
  • Final Keynote Talk: Alessandro Troisi (University of Liverpool, UK)

Invited Speakers

  • Anatole von Lilienfeld, University of Basel
  • Olexandr Isayev, University of North Carolina
  • Chris-Kriton Skylaris, University of Southampton
  • Aron Walsh, Imperial College London
  • Felix Plasser, University of Loughborough
  • Fred Manby, University of Bristol
  • David O'Regan, Trinity College Dublin
  • Elena Besley, University of Nottingham
  • Syma Khalid, University of Southampton
  • Michele Vendruscolo, University of Cambridge
  • Christine Peter, University of Konstanz
  • George Booth, King's College London
  • Livia Bartok-Partay, University of Reading
  • Mariana Rossi, Fritz-Haber Institute of the Max-Planck Society
  • Fernanda Duarte, Oxford University
  • Aaron Kelly, Dalhousie University
  • Andela Saric, University College London

Organising Committee

  • Reinhard J. Maurer (Co-Chair), University of Warwick, Email:
  • Gabriele C. Sosso (Co-Chair), University of Warwick, Email:
  • Scott Habershon, University of Warwick
  • Rebecca Notman, University of Warwick