Zobrazeno 1 - 10
of 255
pro vyhledávání: '"David R Reichman"'
Publikováno v:
New Journal of Physics, Vol 15, Iss 10, p 105020 (2013)
The population transfer dynamics of model donor–bridge–acceptor systems is studied by comparing a recently developed polaron-transformed quantum master equation (PQME) with the well-known Redfield and Förster theories of quantum transport. We sh
Externí odkaz:
https://doaj.org/article/ab942db743fb458187f1378f4a25f233
Publikováno v:
Nature Communications, Vol 12, Iss 1, Pp 1-8 (2021)
Superconductivity reported in metals driven away from equilibrium via optical pumping has been proposed to arise from nonlinear coupling between electrons and optically excited phonons. The authors use an exact approach to show that here, disorder, w
Externí odkaz:
https://doaj.org/article/507ffabc58004c969fe6fa5dd10daef4
Autor:
Clemens Zeiser, Chad Cruz, David R. Reichman, Michael Seitz, Jan Hagenlocher, Eric L. Chronister, Christopher J. Bardeen, Roel Tempelaar, Katharina Broch
Publikováno v:
Nature Communications, Vol 12, Iss 1, Pp 1-9 (2021)
A complete understanding of singlet fission (SF) in molecular materials will enable the design of optimised optoelectronic devices. Here, the authors use vacancy control in acene-based blends to link coherent and incoherent SF pathways to energetics.
Externí odkaz:
https://doaj.org/article/d346ca276bcb44f780c91b6173ce7b9f
Community detection in networks refers to the process of seeking strongly internally connected groups of nodes which are weakly externally connected. In this work, we introduce and study a community definition based on internal edge density. Beginnin
Externí odkaz:
http://arxiv.org/abs/1301.3120
Publikováno v:
Nature Communications, Vol 10, Iss 1, Pp 1-8 (2019)
Lead halide perovskites have unique electronic properties that depend on the crystal’s anharmonicity. Dielectric solvation theories, developed for molecules dissolved in polar liquids, are shown here to reproduce the temperature behavior of carrier
Externí odkaz:
https://doaj.org/article/508b7e6e41074241bc6b82ceaa3d02bb
Autor:
Ludovic Berthier, David R. Reichman
Publikováno v:
Nature Reviews Physics. 5:102-116
The physics of the glass transition and amorphous materials continues to attract the attention of a wide research community after decades of effort. Supercooled liquids and glasses have been studied numerically since the advent of molecular dynamics
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6919a80802c4f34ff1faaa00b43d1b3a
https://doi.org/10.1038/s42254-022-00548-x
https://doi.org/10.1038/s42254-022-00548-x
Publikováno v:
Journal of Chemical Theory and Computation. 18:7024-7042
In this work, we present an overview of the phaseless auxiliary-field quantum Monte Carlo (ph- AFQMC) approach from a computational quantum chemistry perspective, and present a numerical assessment of its performance on main group chemistry and bond-
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::afd05d6fcb084c113ee999537fd69070
https://doi.org/10.1021/acs.jctc.2c00802
https://doi.org/10.1021/acs.jctc.2c00802
Autor:
Archana Raja, Andrey Chaves, Jaeeun Yu, Ghidewon Arefe, Heather M. Hill, Albert F. Rigosi, Timothy C. Berkelbach, Philipp Nagler, Christian Schüller, Tobias Korn, Colin Nuckolls, James Hone, Louis E. Brus, Tony F. Heinz, David R. Reichman, Alexey Chernikov
Publikováno v:
Nature Communications, Vol 8, Iss 1, Pp 1-7 (2017)
Electronic bandgap tuning in semiconductors enables key functionalities in solid-state devices. Here, the authors present a strategy to control the bandgap of atomically thin WS2 and WSe2semiconductors via manipulation of the surrounding dielectric e
Externí odkaz:
https://doaj.org/article/a5b39dc701f44ba1966f1cdb0631887c
Publikováno v:
Journal of Chemical Theory and Computation. 18:5221-5232
We develop a time-dependent second-order Green's function theory (GF2) for calculating neutral excited states in molecules. The equation of motion for the lesser Green's function (GF) is derived within the adiabatic approximation to the Kadanoff-Baym
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7dee2a037c73398c79c9d0b46d0e69cf
https://doi.org/10.1021/acs.jctc.2c00057
https://doi.org/10.1021/acs.jctc.2c00057
Publikováno v:
Nature Communications. 14
Recent experiments suggest that ground state chemical reactivity can be modified when placing molecular systems inside infrared cavities where molecular vibrations are strongly coupled to electromagnetic radiation. This phenomenon lacks a firm theore
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::07b04ab34504440d4b5c4296cb015e75
https://doi.org/10.1038/s41467-023-38368-x
https://doi.org/10.1038/s41467-023-38368-x