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Centre for Complexity Science

糖心TV Complexity Science Events

Complexity Centre and MathSys CDT events carry priority over room D1.07.

To book D1.07 please email Sheetal dot Sharma at warwick dot ac dot uk

Please note that your event booking is for D1.07 only. The adjacent common room is a private area for the MathSys Centre that cannot used as part of your booking.

Wednesday, November 11, 2015

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MA933 viva
More information | Tags: Seminar Room D1.07 |
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MSc and EM weekly student meeting
D1.07 Complexity Science

Stefan Grosskinsky

Heather Robson

More information | Tags: MSc students Meeting Seminar Room D1.07 |
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Computational Techniques Lecture
D1.07
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Robert Kerr
D1.07
More information | Tags: Mathematics |
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Complexity Forum: Sridhar Neelamraju (University of Southampton)
D1.07

Exploring the potential energy landscapes of molecules and crystals.

Understanding the relationship between the potential energy surface, or energy landscape, and the dynamics of a molecular or crystalline system is still a major research effort in chemical physics. It has been argued that it is the energy landscape which differentiates those model polypeptides that are able to fold rapidly to a unique native structure from those that get stuck in mis-folded states, for e.g.

Here, I describe two strategies to extrapolate various facets of the potential energy landscape for molecules and crystals: 1) A combination of simulated annealing and the threshold algorithm to estimate size of energetic basins and transition regions based on an analysis of probability flows among local minima and 2) A combination of the Basin-Hopping and Nudged Elastic Band calculations to construct a database of connected stationary points that defines a given molecular system.

More information | Tags: forum |
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PhD group meeting
D1.07 Complexity Science

Gareth Alexander

Stefan Grosskinsky

More information | Tags: PhD Students Seminar Room D1.07 |
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Topics in Non-Equilibrium Physics

Diana Khoromskaia

More information | Tags: Reading groups Seminar Room D1.07 |

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