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A modeling framework for the application of multi-paradigm simulation methods

Simulation, 2020
Konstantinos Mykoniatis   +1 more
exaly  

Advanced Simulation of Electronic Materials: A Paradigm for Distributive Computing and Simulations.

1996
Abstract : The researchers have developed parallel and distributed algorithms for classical molecular dynamics and first-principles molecular dynamics methods for electronic structure calculations. An effective multivariable optimization scheme is employed for the construction of semi-empircal models.
openaire   +1 more source

Theory and simulation old problems, new paradigms

Current Opinion in Structural Biology, 1997
J, Novotny, M, Sippl
openaire   +2 more sources

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