Theory and simulations of quantum glass forming liquids

Thomas E. Markland; Joseph A. Morrone; Kunimasa Miyazaki; B. J. Berne; David R. Reichman; Eran Rabani

doi:10.1063/1.3684881

Theory and simulations of quantum glass forming liquids

Thomas E. Markland, Joseph A. Morrone, Kunimasa Miyazaki, B. J. Berne^*, David R. Reichman, Eran Rabani

^*Corresponding author for this work

School of Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

A comprehensive microscopic dynamical theory is presented for the description of quantum fluids as they transform into glasses. The theory is based on a quantum extension of mode-coupling theory. Novel effects are predicted, such as reentrant behavior of dynamical relaxation times. These predictions are supported by path integral ring polymer molecular dynamics simulations. The simulations provide detailed insight into the factors that govern slow dynamics in glassy quantum fluids. Connection to other recent work on both quantum glasses as well as quantum optimization problems is presented.

Original language	English
Article number	074511
Journal	Journal of Chemical Physics
Volume	136
Issue number	7
DOIs	https://doi.org/10.1063/1.3684881
State	Published - 21 Feb 2012

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abstract = "A comprehensive microscopic dynamical theory is presented for the description of quantum fluids as they transform into glasses. The theory is based on a quantum extension of mode-coupling theory. Novel effects are predicted, such as reentrant behavior of dynamical relaxation times. These predictions are supported by path integral ring polymer molecular dynamics simulations. The simulations provide detailed insight into the factors that govern slow dynamics in glassy quantum fluids. Connection to other recent work on both quantum glasses as well as quantum optimization problems is presented.",

author = "Markland, {Thomas E.} and Morrone, {Joseph A.} and Kunimasa Miyazaki and Berne, {B. J.} and Reichman, {David R.} and Eran Rabani",

note = "Funding Information: The authors acknowledge Francesco Zamponi for useful discussions. K.M. acknowledges support from Kakenhi (Grant Nos. 21015001 and 2154016). B.J.B. acknowledges support from NSF (Grant No. CHE-0910943). D.R.R. would like to thank the NSF ( Grant No. CHE-0719089) for support. E.R. and D.R.R. thank the US-Israel Binational Science Foundation for support.",

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AU - Rabani, Eran

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Theory and simulations of quantum glass forming liquids

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