Zobrazeno 1 - 10
of 26
pro vyhledávání: '"Justin E. Elenewski"'
Publikováno v:
Nature Communications, Vol 10, Iss 1, Pp 1-8 (2019)
Understanding vibrational energy transfer in macromolecules has been challenging to both theory and experiment. Here the authors use non-equilibrium molecular dynamics to reveal the relationship between heat transport in a model peptide, emergent non
Externí odkaz:
https://doaj.org/article/eab4a4f45a1443c88d09a97772cf1a35
Publikováno v:
Physical Review B. 104
Quantum transport simulations are rapidly evolving and now encompass well-controlled tensor network techniques for many-body limits. One powerful approach combines matrix product states with extended reservoirs. In this method, continuous reservoirs
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::80708b4c73c96e105aba546d39ce38fd
https://doi.org/10.1103/physrevb.104.165131
https://doi.org/10.1103/physrevb.104.165131
Publikováno v:
The Journal of Chemical Physics. 155:124117
Quantum transport simulations often use explicit, yet finite, electronic reservoirs. These should converge to the correct continuum limit, albeit with a trade-off between discretization and computational cost. Here, we study this interplay for extend
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b77501a7937af2a0b29f53795f2af832
https://doi.org/10.1063/5.0065799
https://doi.org/10.1063/5.0065799
Publikováno v:
The Journal of Physical Chemistry C. 121:11159-11165
We have applied our functional mode framework for singlet fission to pentacene, a prototypical organic material for multiple exciton generation. It was found that singlet fission in pentacene occurs predominantly through a coherent process mediated b
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a99b9163c3604009c600b27b8e3ddeeb
https://doi.org/10.1021/acs.jpcc.7b03107
https://doi.org/10.1021/acs.jpcc.7b03107
Publikováno v:
The Journal of Physical Chemistry C. 121:4130-4138
Singlet fission is a multiple exciton generation process that splits a singlet exciton (S0S1) into a correlated triplet pair (T1T1), affording a route to overcome the long-standing Shockley–Queisser thermodynamic limit for solar energy conversion.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e6e75764caa2a423f9ec97a497767e52
https://doi.org/10.1021/acs.jpcc.6b11722
https://doi.org/10.1021/acs.jpcc.6b11722
Publikováno v:
Phys Rev A (Coll Park)
Tensor networks are a powerful tool for many-body ground states with limited entanglement. These methods can nonetheless fail for certain time-dependent processes - such as quantum transport or quenches - where entanglement growth is linear in time.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4410b028ef6ab790ed0eefc99aed2a5e
http://arxiv.org/abs/1911.09108
http://arxiv.org/abs/1911.09108
Publikováno v:
Science Advances
Minute strain flattens the free-energy terrain: Picometer deformations yield a colossal ionic conductance in graphene crown ethers.
Biological ion channels balance electrostatic and dehydration effects to yield large ion selectivity alongside hi
Biological ion channels balance electrostatic and dehydration effects to yield large ion selectivity alongside hi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7cf7db33e0f41c6d4bdfa3e7adb268a3
https://doi.org/10.1126/sciadv.aaw5478
https://doi.org/10.1126/sciadv.aaw5478
Publikováno v:
The Journal of Physical Chemistry C. 120:20579-20587
Charge carriers that have been driven out of thermal equilibrium by their excessive vibrational energies are termed hot carriers. A theory has been developed to model the injection of these vibrationally excited electrons by explicitly accounting for
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8931fbb284da67ffba06721f15bf7467
https://doi.org/10.1021/acs.jpcc.6b00099
https://doi.org/10.1021/acs.jpcc.6b00099
Publikováno v:
Biophysical Journal. 118:11a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ad62189456fc263b69d8ce04957e96e3
https://doi.org/10.1016/j.bpj.2019.11.245
https://doi.org/10.1016/j.bpj.2019.11.245
Autor:
Justin E. Elenewski, Michael Zwolak
Publikováno v:
Biophysical Journal. 118:470a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5d18ce344bb523daab31470c299195ce
https://doi.org/10.1016/j.bpj.2019.11.2608
https://doi.org/10.1016/j.bpj.2019.11.2608