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Molecular Mechanics

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Molecular Dynamics Simulations in Statistical Physics: Theory and Applications

Part of the book series: Scientific Computation ((SCIENTCOMP))

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Abstract

Many interesting problems that we would like to treat using computational molecular modeling are unfortunately too large to be considered by quantum mechanics (QM). Quantum mechanics methods consider the electronic structure in a molecular system. Even when some of the electrons are omitted, still a large number of particles must be considered, which makes the calculations time-consuming from computations point of view.

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Authors and Affiliations

  1. Computer Engineering, International Balkan University, Skopje, North Macedonia

    Hiqmet Kamberaj

  2. Advanced Computing Research Center, University of New York Tirana, Tirana, Albania

    Hiqmet Kamberaj

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  1. Hiqmet Kamberaj
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Kamberaj, H. (2020). Molecular Mechanics. In: Molecular Dynamics Simulations in Statistical Physics: Theory and Applications. Scientific Computation. Springer, Cham. https://doi.org/10.1007/978-3-030-35702-3_7

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