Zobrazeno 1 - 10
of 49
pro vyhledávání: '"Chowdhury, Sutirtha N."'
Autor:
Kang, Mingyu, Nuomin, Hanggai, Chowdhury, Sutirtha N., Yuly, Jonathon L., Sun, Ke, Whitlow, Jacob, Valdiviezo, Jesús, Zhang, Zhendian, Zhang, Peng, Beratan, David N., Brown, Kenneth R.
Publikováno v:
Nature Reviews Chemistry 8, 340-358 (2024)
Simulating the quantum dynamics of molecules in the condensed phase represents a longstanding challenge in chemistry. Trapped-ion quantum systems may serve as a platform for the analog-quantum simulation of chemical dynamics that is beyond the reach
Externí odkaz:
http://arxiv.org/abs/2305.03156
We derive the non-adiabatic ring polymer molecular dynamics (RPMD) approach in the phase space of the SU(N) Lie Group. This method, which we refer to as the spin mapping non-adiabatic RPMD (SM-NRPMD), is based on the spin-mapping formalism for the el
Externí odkaz:
http://arxiv.org/abs/2211.04330
Cavity polaritonics is capturing the imagination of the chemistry community because of the novel opportunities it creates to direct chemistry. Electron transfer (ET) reactions are among the simplest reactions, and they also underpin bioenergetics. As
Externí odkaz:
http://arxiv.org/abs/2208.05931
We present a new non-adiabatic ring polymer molecular dynamics (NRPMD) method based on the spin mapping formalism, which we refer to as the spin-mapping NRPMD (SM-NRPMD) approach. We derive the path-integral partition function expression using the sp
Externí odkaz:
http://arxiv.org/abs/2103.14119
Autor:
Chowdhury, Sutirtha N., Huo, Pengfei
Recently proposed non-adiabatic ring polymer molecular dynamics (NRPMD) approach has shown to provide accurate quantum dynamics by incorporating explicit electronic state descriptions and nuclear quantizations. Here, we present a rigorous derivation
Externí odkaz:
http://arxiv.org/abs/1903.06953
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Akademický článek
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Publikováno v:
Journal of Chemical Physics; 1/28/2023, Vol. 158 Issue 4, p1-22, 22p
Publikováno v:
Journal of Chemical Physics; 8/28/2022, Vol. 157 Issue 8, p1-26, 26p
Publikováno v:
Journal of Chemical Physics; 7/14/2023, Vol. 159 Issue 2, p1-3, 3p