Quantum Chemistry on Graphical Processing Units. 3. Analytical Energy Gradients, Geometry Optimization, and First Principles Molecular Dynamics

744 indexed citations

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This paper, published in 2009, received 744 indexed citations. Written by Ivan S. Ufimtsev and Todd J. Martı́nez covering the research area of Atomic and Molecular Physics, and Optics and Spectroscopy. It is primarily cited by scholars working on Atomic and Molecular Physics, and Optics (330 citations), Materials Chemistry (241 citations) and Molecular Biology (161 citations). Published in Journal of Chemical Theory and Computation.

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Fields of papers citing Quantum Chemistry on Graphical Processing Units. 3. Analytical Energy Gradients, Geometry Optimization, and First Principles Molecular Dynamics

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This paper is also available at doi.org/10.1021/ct9003004.

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