Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Strand, Nils E."'
Transition path theory (TPT) offers a powerful formalism for extracting the rate and mechanism of rare dynamical transitions between metastable states. Most applications of TPT either focus on systems with modestly sized state spaces or use collectiv
Externí odkaz:
http://arxiv.org/abs/2406.01452
Publikováno v:
J. Chem. Phys., 157, 054104, 2022
We present an approach based upon binary tree tensor network (BTTN) states for computing steady-state current statistics for a many-particle 1D ratchet subject to volume exclusion interactions. The ratcheted particles, which move on a lattice with pe
Externí odkaz:
http://arxiv.org/abs/2201.04107
Publikováno v:
J. Chem. Phys., 156, 221103, 2022
The study of Brownian ratchets has taught how time-periodic driving supports a time-periodic steady state that generates nonequilibrium transport. When a single particle is transported in one dimension, it is possible to rationalize the current in te
Externí odkaz:
http://arxiv.org/abs/2201.03531
Publikováno v:
Phys. Rev. E 102, 012141 (2020)
It is well-known that Brownian ratchets can exhibit current reversals, wherein the sign of the current switches as a function of the driving frequency. We introduce a spatial discretization of such a two-dimensional Brownian ratchet to enable spectra
Externí odkaz:
http://arxiv.org/abs/2003.14350
We report the analytical nuclear gradient theory for complete active space second-order perturbation theory (CASPT2) with imaginary shift, which is commonly used to avoid divergence of the perturbation expression. Our formulation is based on the Lagr
Externí odkaz:
http://arxiv.org/abs/1904.06718
Autor:
Park JW; Department of Chemistry , Northwestern University , 2145 Sheridan Rd. , Evanston , Illinois 60208 , United States.; Department of Chemistry , Chungbuk National University , Chungdae-ro 1 , Cheongju , Chungbuk 28644 , Korea., Al-Saadon R; Department of Chemistry , Northwestern University , 2145 Sheridan Rd. , Evanston , Illinois 60208 , United States., Strand NE; Department of Chemistry , Northwestern University , 2145 Sheridan Rd. , Evanston , Illinois 60208 , United States., Shiozaki T; Department of Chemistry , Northwestern University , 2145 Sheridan Rd. , Evanston , Illinois 60208 , United States.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2019 Jul 09; Vol. 15 (7), pp. 4088-4098. Date of Electronic Publication: 2019 Jun 24.
