Multiscale Factorization Method for Simulating Mesoscopic Systems with Atomic Precision :Center for Theoretical & Computational Nanoscience

Indiana University Bloomington Indiana University Bloomington IU Bloomington

Center for Theoretical & Computational Nanoscience

A. Abi Mansour, P. J. Ortoleva. “Multiscale Factorization Method for Simulating Mesoscopic Systems with Atomic Precision”. Journal of Chemical Theory and Computation, (2014).

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February, 2018

In 2017, Yinglong Miao (Ph.D, 2009, Indiana University) accepted an Associate Professor position at the University of Kansas.

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Reverse Coarse-Graining for Equation-Free Modeling: Application to Multiscale Molecular Dynamics

J Chem Theory Comput. 2016 Nov 8;12(11):5541-5548. Epub 2016 Oct 24. Reverse Coarse-Graining for Equation-Free Modeling: Application to Multiscale Molecular Dynamics. Abi Mansour A1, Ortoleva PJ1. Author information 1 Department of Chemistry and Center for Theoretical and Computational Nanoscience, Indiana University , Bloomington, Indiana 47405, United States. Abstract Constructing atom-resolved states from low-resolution data… View Article