Steven L. Mielke

Available identifiers

zbMath Open mielke.steven-lMaRDI QIDQ483772

List of research outcomes

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

Research outcomes over time

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