Many-body localized (MBL) systems fail to reach thermal equilibrium under their own dynamics, even though they are interacting, nonintegrable, and in an extensively excited state. One instability toward thermalization of MBL systems is the so-called “avalanche,” where a locally thermalizing rare region is able to spread thermalization through the full system. The spreading of the avalanche may be modeled and numerically studied in finite one-dimensional MBL systems by weakly coupling an infinite-temperature bath to one end of the system. We find that the avalanche spreads primarily via strong many-body resonances between rare near-resonant eigenstates of the closed system. Thus we find and explore a detailed connection between many-body resonances and avalanches in MBL systems.
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Making many-body interactions nearly pairwise additive: The polarized many-body expansion approach
- Award ID(s):
- 1665315
- PAR ID:
- 10198774
- Date Published:
- Journal Name:
- The Journal of Chemical Physics
- Volume:
- 151
- Issue:
- 19
- ISSN:
- 0021-9606
- Page Range / eLocation ID:
- 194101
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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Many-Body eXpansion (MBX) is a C++ library that implements many-body potential energy functions (PEFs) within the “many-body energy” (MB-nrg) formalism. MB-nrg PEFs integrate an underlying polarizable model with explicit machine-learned representations of many-body interactions to achieve chemical accuracy from the gas to the condensed phases. MBX can be employed either as a stand-alone package or as an energy/force engine that can be integrated with generic software for molecular dynamics and Monte Carlo simulations. MBX is parallelized internally using Open Multi-Processing and can utilize Message Passing Interface when available in interfaced molecular simulation software. MBX enables classical and quantum molecular simulations with MB-nrg PEFs, as well as hybrid simulations that combine conventional force fields and MB-nrg PEFs, for diverse systems ranging from small gas-phase clusters to aqueous solutions and molecular fluids to biomolecular systems and metal-organic frameworks.more » « less
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