Zobrazeno 1 - 10
of 45
pro vyhledávání: '"Ray, Ushnish"'
Publikováno v:
Phys. Rev. Research 2, 043259 (2020)
We determine the ground-state phase diagram of the three-band Hubbard model across a range of model parameters using density matrix embedding theory. We study the atomic-scale nature of the antiferromagnetic (AFM) and superconducting (SC) orders, exp
Externí odkaz:
http://arxiv.org/abs/2001.04951
Autor:
Sun, Chong, Ray, Ushnish, Cui, Zhi-Hao, Stoudenmire, Miles, Ferrero, Michel, Chan, Garnet Kin-Lic
Publikováno v:
Phys. Rev. B 101, 075131 (2020)
We describe a formulation of the density matrix embedding theory at finite temperature. We present a generalization of the ground-state bath orbital construction that embeds a mean-field finite-temperature density matrix up to a given order in the Ha
Externí odkaz:
http://arxiv.org/abs/1911.07439
Autor:
Motta, Mario, Genovese, Claudio, Ma, Fengjie, Cui, Zhi-Hao, Sawaya, Randy, Chan, Garnet Kin-Lic, Chepiga, Natalia, Helms, Phillip, Jimenez-Hoyos, Carlos, Millis, Andrew J., Ray, Ushnish, Ronca, Enrico, Shi, Hao, Sorella, Sandro, Stoudenmire, Edwin M., White, Steven R., Zhang, Shiwei
Publikováno v:
Phys. Rev. X 10, 031058 (2020)
Accurate and predictive computations of the quantum-mechanical behavior of many interacting electrons in realistic atomic environments are critical for the theoretical design of materials with desired properties, and require solving the grand-challen
Externí odkaz:
http://arxiv.org/abs/1911.01618
Autor:
Williams, Kiel T., Yao, Yuan, Li, Jia, Chen, Li, Shi, Hao, Motta, Mario, Niu, Chunyao, Ray, Ushnish, Guo, Sheng, Anderson, Robert J., Li, Junhao, Tran, Lan Nguyen, Yeh, Chia-Nan, Mussard, Bastien, Sharma, Sandeep, Bruneval, Fabien, van Schilfgaarde, Mark, Booth, George H., Chan, Garnet Kin-Lic, Zhang, Shiwei, Gull, Emanuel, Zgid, Dominika, Millis, Andrew, Umrigar, Cyrus J., Wagner, Lucas K.
Publikováno v:
Phys. Rev. X 10, 011041 (2020)
A large collaboration carefully benchmarks 20 first principles many-body electronic structure methods on a test set of 7 transition metal atoms, and their ions and monoxides. Good agreement is attained between the 3 systematically converged methods,
Externí odkaz:
http://arxiv.org/abs/1910.00045
Autor:
Ray, Ushnish, Chan, Garnet Kin-Lic
Publikováno v:
J. Chem. Phys. 152, 104107 (2020)
We present a strategy to construct guiding distribution functions (GDFs) based on variance minimization. Auxiliary dynamics via GDFs mitigates the exponential growth of variance as a function of bias in Monte Carlo estimators of large deviation funct
Externí odkaz:
http://arxiv.org/abs/1909.11283
Autor:
Ray, Ushnish, Limmer, David T.
Publikováno v:
Phys. Rev. B 100, 241409 (2019)
Molecular dynamics simulations and nonequilibrium importance sampling are used to study the heat transport of low dimensional carbon lattices. For both carbon nanotubes and graphene sheets heat transport is found to be anomalous, violating Fourier's
Externí odkaz:
http://arxiv.org/abs/1906.11429
Publikováno v:
Phys. Rev. E 100, 022101 (2019)
We analyze the dynamical phases of the current-biased 1D and multi-lane open asymmetric simple exclusion processes (ASEP), using matrix product states and the density matrix renormalization group (DMRG) algorithm. In the 1D ASEP, we present a systema
Externí odkaz:
http://arxiv.org/abs/1904.07336
Publikováno v:
Phys. Rev. A 98, 023628 (2018)
We investigate the properties of the superfluid phase in the three-dimensional disordered Bose-Hubbard model using Quantum Monte-Carlo simulations. The phase diagram is generated using Gaussian disorder on the on-site potential. Comparisons with box
Externí odkaz:
http://arxiv.org/abs/1804.05789
Publikováno v:
Phys. Rev. Lett. 120, 210602 (2018)
We describe a framework to significantly reduce the computational effort to evaluate large deviation functions of time integrated observables within nonequilibrium steady states. We do this by incorporating an auxiliary dynamics into trajectory based
Externí odkaz:
http://arxiv.org/abs/1708.09482
Large deviation functions contain information on the stability and response of systems driven into nonequilibrium steady states, and in such a way are similar to free energies for systems at equilibrium. As with equilibrium free energies, evaluating
Externí odkaz:
http://arxiv.org/abs/1708.00459