A new function for local structure characterization

A mixed radial, angular, three-body distribution function as a tool for local structure characterization: Application to single-component structures
Sergey V. Sukhomlinov and Martin H. Müser,
J. Chem. Phys. 152, 07964 (2020)

DOI: 10.1063/5.0007964
accepted version, supplementary material
g3.tar (tar ball with code, readme file, and example)

Evidence for electronic gap-driven metal-semiconductor transition in phase-change materials

D. Shakhvorostov, R. A. Nistor, L. Krusin-Elbaum, G. J. Martyna, D. M. Newns, B. G. Elmegreen, X. Liu, Z. E. Hughes, S. Paul, C. Cabral Jr., S. Raoux, D. B. Shrekenhamer, D. N. Basov, Y. Song, and M. H. Müser,
Evidence for electronic gap-driven metal-semiconductor transition in phase-change materials,
Proc. Natl. Acad. Sci. USA 106, 10907-10911 (2009).
DOI information: 10.1073/pnas.0812942106.

Correlating cation coordination, stiffness, phase transition pressures, and smart materials behavior in metal phosphates

D. Shakhvorostov, M. H. Müser, N. J. Mosey, Y. Song and P. R. Norton,
Correlating cation coordination, stiffness, phase transition pressures, and smart materials behavior in metal phosphates,
Phys. Rev. B 79, 094107 (2009); submitted version, DOI:10.1103/PhysRevB.79.094107.

Molecular mechanisms for the functionality of lubricant additives

N. J. Mosey, M. H. Müser, and T. K. Woo,
Molecular mechanisms for the functionality of lubricant additives,
Science 307, 1612-1615 (2005); (full version / abstract only).
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