S12-CHE: ExSTASY Extensible Tools for Advanced Sampling and analYsis

Bethune, Iain (Principal Investigator)

College of Science and Engineering

Status	Finished
Effective start/end date	1/07/13 → 30/09/16

Funding

EPSRC: £370,624.00

4 Poster
4 Article
2 Abstract
2 Paper

Molecular Integration Simulation Toolkit - interfacing novel integrators with Molecular Dynamics codes
Bethune, I., 12 Sep 2016.
Research output: Contribution to conference › Abstract
Molecular Integration Simulation Toolkit - interfacing novel integrators with Molecular Dynamics codes
Bethune, I., Breitmoser, E. & Leimkuhler, B., 19 Jun 2016.
Research output: Contribution to conference › Poster

Open Access
File
Molecular Integration Simulation Toolkit - interfacing novel integrators with Molecular Dynamics codes
Bethune, I., Breitmoser, E. & Leimkuhler, B., 19 Jun 2016.
Research output: Contribution to conference › Abstract › peer-review

3 Participation in conference
2 Participation in workshop, seminar, course

Tutorial: Tools for Advanced Sampling of Macromolecular Systems
Iain Bethune (Organiser)
16 May 2016 → 17 May 2016
Activity: Participating in or organising an event types › Participation in workshop, seminar, course
ISQBP President's Meeting 2016
Iain Bethune (Speaker)
19 Jun 2016 → 22 Jun 2016
Activity: Participating in or organising an event types › Participation in conference
Condensed Phase Simulations: Recent Advances in Theory and Applications - CCP5 Annual Conference 2016
Iain Bethune (Speaker)
12 Sep 2016
Activity: Participating in or organising an event types › Participation in conference