Sampling Efficiency of Transverse Forces in Dense Liquids

Sampling the Boltzmann distribution using forces that violate detailed balance can be faster than with the equilibrium evolution, but the acceleration depends on the nature of the nonequilibrium drive and the physical situation. Here, we study the efficiency of forces transverse to energy gradients...

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Veröffentlicht in:Physical review letters 2023-12, Vol.131 (25), p.257101-257101, Article 257101
Hauptverfasser: Ghimenti, Federico, Berthier, Ludovic, Szamel, Grzegorz, van Wijland, Frédéric
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Sprache:eng
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Zusammenfassung:Sampling the Boltzmann distribution using forces that violate detailed balance can be faster than with the equilibrium evolution, but the acceleration depends on the nature of the nonequilibrium drive and the physical situation. Here, we study the efficiency of forces transverse to energy gradients in dense liquids through a combination of techniques: Brownian dynamics simulations, exact infinite-dimensional calculation, and a mode-coupling approximation. We find that the sampling speedup varies nonmonotonically with temperature, and decreases as the system becomes more glassy. We characterize the interplay between the distance to equilibrium and the efficiency of transverse forces by means of odd transport coefficients.
ISSN:0031-9007
1079-7114
DOI:10.1103/PhysRevLett.131.257101