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Milestones in Molecular Simulations

An opportunity to discuss and exchange ideas on formation of scientific partnerships that will foster the general interest for computational methods for the simulation of materials and molecular systems.

  • Friday 21st June 2019 00:00 (1 day)
  • Workshop
  • Influence


Inspired by the seminal work on Professor Michele Parrinello, who will be our plenary speaker, we aim to form a platform for discussion, exchange of ideas and formation of scientific partnerships that will foster the general interest for computational methods for the simulation of materials and molecular systems, building on the seminal work of Professor Michele Parrinello. At the same time this symposium will formulate future research paths and bridge the existing Parrinello-trained community in the UK with a novel generation of scientists.

The impact of this workshop is wide. Parrinello’s work has greatly inspired scientific research in the UK and worldwide, developing ground-breaking methods and innovative algorithms which have helped researchers to understand a wide variety of systems and phenomena. These span from ice and water to electrochemical interfaces; from physical-chemical transformations in condensed and soft matter, to phase transitions; from fundamental processes in biological systems to the design of new materials and molecular systems. Active members of this community are part of important consortia and projects in the UK, such as TYC, CCP9, UKCP, CCP5 and MCC. The methods and numerical algorithms developed by Parrinello, and present and past collaborators and members of his group, are currently implemented in widely used codes and software platforms in the UK, including PLUMED, CP2K, and CPMD.

We are delighted to welcome Professor Michele Parrinello as our guest of honour.

What will I be asked to do?

We plan a strongly interactive and informal workshop, which will greatly benefit graduate students and young researchers, encouraging them to expand their knowledge and network with established scientists. To this end, we will kindly ask the speakers to present their field of research in a comprehensive manner, making their presentation broadly accessible to the young researchers gathered in this workshop. Students and young participants will be invited to actively contribute to the symposium and present a poster relating to their research activities. Raising questions and discussing open challenges in the field will be encouraged.

When and where?

Date: 21 Jun 2019

Venue: B10, Molecular Sciences Research Hub (MSRH)

Campus: White City Campus


  • B10, Molecular Sciences Research Hub (MSRH)
  • White City Campus
  • London
  • W12 0BZ

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