Steven L. Mielke

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List of research outcomes

This list is not complete and representing at the moment only items from zbMATH Open and arXiv. We are working on additional sources - please check back here soon!

PublicationDate of PublicationType
MSTor: a program for calculating partition functions, free energies, enthalpies, entropies, and heat capacities of complex molecules including torsional anharmonicity
Computer Physics Communications
2014-12-17Paper
Multiscale coupling schemes spanning the quantum mechanical, atomistic forcefield, and continuum regimes
Computer Methods in Applied Mechanics and Engineering
2009-04-23Paper
Parallel Fourier path-integral Monte Carlo calculations of absolute free energies and chemical equilibria
Computer Physics Communications
2002-05-01Paper


Research outcomes over time


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