Browse by UCL people
Group by: Type | Date
Number of items: 3.
Article
Ravipati, S;
Savva, GD;
Christidi, I;
Guichard, R;
Nielsen, J;
Reocreux, R;
Stamatakis, M;
(2022)
Coupling the time-warp algorithm with the graph-theoretical kinetic Monte Carlo framework for distributed simulations of heterogeneous catalysts.
Computer Physics Communications
, 270
, Article 108148. 10.1016/j.cpc.2021.108148.
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Savva, GD;
Stamatakis, M;
(2020)
Comparison of Queueing Data-Structures for Kinetic Monte Carlo Simulations of Heterogeneous Catalysts.
The Journal of Physical Chemistry A
, 124
(38)
pp. 7843-7856.
10.1021/acs.jpca.0c06871.
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Thesis
|
Savva, Giannis;
(2022)
Development, implementation and efficiency optimization of novel methods to accelerate kinetic Monte Carlo simulations of reactive systems.
Doctoral thesis (Ph.D), UCL (University College London).
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