Local structures in chemical reactions with heterogeneous catalysis :Center for Theoretical & Computational Nanoscience

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Center for Theoretical & Computational Nanoscience

P. J. Ortoleva and J. Ross. Local structures in chemical reactions with heterogeneous catalysis. J. Chem. Phys. 56(9):4397-4400 (1972).

News

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