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Darwin College
Silver Street
Cambridge CB3 9EU
United Kingdom

e-mail: sat39[at]cam.ac.uk
tel: +44 (0)1223 336530

PGP Key
2006- University of Cambridge, Wales Group, Post-doctoral research associate
2002-2005 University of Cambridge, Wales Group, PhD in theoretical chemistry
1997-2002 University of Kiev-Mohyla Academy, DPMS, Specialist degree in physics

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PERSONAL

Semen Trygubenko | Semen Trygubenko Home Page | Semen Trygubenko Home Page

RESEARCH

+ DNEB

Double ended methods | DNEB | Nudged elastic band method | Doubly nudged elastic band method | Connection algorithm | SQVV | Slow-responce Quenched Velocity Verlet | L-BFGS | Limited memory Broyden-Fletcher-Goldfarb-Shanno minimisation algorithm | Single-step pathways | Multi-step pathways | Minimal energy pathways | Rearrangement pathways | Finding transition states and rearrangement pathways | Transition state searching | Reaction coordinate | Integrated path length | Rearrangements of Lennard-Jones clusters | Linear interpolation guessing | Double-funnel morphology | Degenerate rearrangement | Permutational rearrangement | Path length asymmetry index | Barrier asymmetry index

+ ENDPOINTS AND PATHWAY VISUALIZATIONS

The two lowest-energy minima of LJ38 cluster visualized | The two lowest-energy minima of LJ75 cluster visualized | Rearrangement between the two lowest energy minima of LJ38 cluster | Rearrangement between the two lowest energy minima of LJ75 cluster | Visualizing rearrangement pathways | Best viewpoint visualization of rearrangement pathways

+ COOPERATIVITY AND LOCALIZATION

Cooperativity and localization | Cooperativity index | Localization index | Cooperative rearrangement | Uncooperative rearrangement | Localized rearrangement | Delocalized rearrangement | Cooperative delocalized rearrangement | Cooperative delocalized rearrangement | Cooperative delocalized rearrangement | Cooperative delocalized rearrangement | Barrier height and cooperativity

+ FINDING REARRANGEMENT PATHWAYS

GENERAL

+ DEBIAN LINUX

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