Webinar: Enhanced molecular simulations with PLUMED (2019-09-12)

BioExcel’s webinar series continue with a presentation by Gareth Tribello

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Abstract

PLUMED is a plugin that can be used in tandem with a number of different molecular dynamics codes. The original paper on PLUMED was published 10 years ago and the code has had a success that we could not possibly have envisioned when we started writing it all those years ago. In this webinar I will discuss the sorts of calculations that can be done using PLUMED as well as how PLUMED came about and why we chose to write it the way that we did. I will then finish by discussing the recently formed PLUMED consortium and how we hope that PLUMED will evolve in the future.

Presenters

Gareth Tribello

Gareth Tribello did his undergraduate degree and PhD at Oxford University and UCL respectively. He then spent five and half years working with Prof Michele Parrinello at the ETH Zurich and the University of Lugano before finally getting a lectureship position in the Atomistic Simulation Centre at Queen’s University Belfast. Gareth has performed research on using machine learning algorithms to analyse and bias molecular dynamics trajectory. Recently, however, his work has focussed on simulating the formation of crystals. Gareth is also one of the four core developers of the PLUMED plugin for molecular dynamics.

Twitter:
@plumed_org
@plumedN
@GTribello 

Homepage:
https://www.plumed.org

Register for webinar

Title: Enhanced molecular simulations with PLUMED

Date: 12th September, 2019
Time: 14:00 BST / 15:00 CEST

Registration URL: https://attendee.gotowebinar.com/register/3551968316654250508
Webinar ID: 978-451-715

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