Frontiers of computer simulation in chemistry and materials science

Frontiers of computer simulation The image shows a single hydrogen atom bonding to a single atomic layer of graphite (graphene). Courtesy of Erlend Davidson and Angelos Michaelides, Thomas Young Centre, UCL.

Theo Murphy international scientific meeting organised by Professor David Manolopoulos FRS, Professor David Logan, Dr Mark Wilson and Professor David Chandler ForMemRS

Event details


The last few years have seen spectacular advances in the application of computer simulation to complex systems that have shed light on phenomena across the breadth of chemistry – from biophysical chemistry to chemical physics and materials science. This meeting will bring together world leaders in computer simulation to celebrate these advances, identify new challenges, and discuss the methodology needed to solve them.

Biographies of the key contributors are available below and you can also download a programme (PDF) . Recorded audio of the presentations will be available on this page shortly after the event.

Enquiries: Contact the events team

Frontiers of computer simulation in chemistry and materials science

Organisers

Session 1

Session 2

Session3

Session 4

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