Tretiak S - Search Results

1

Discovering a Transferable Charge Assignment Model Using Machine Learning.

Sifain AE, Lubbers N, Nebgen BT, Smith JS, Lokhov AY, Isayev O, Roitberg AE, Barros K, Tretiak S. Sifain AE, et al. Among authors: tretiak s. J Phys Chem Lett. 2018 Aug 16;9(16):4495-4501. doi: 10.1021/acs.jpclett.8b01939. Epub 2018 Jul 27. J Phys Chem Lett. 2018. PMID: 30039707

2

Nonadiabatic molecular dynamics simulations of the energy transfer between building blocks in a phenylene ethynylene dendrimer.

Fernandez-Alberti S, Kleiman VD, Tretiak S, Roitberg AE. Fernandez-Alberti S, et al. Among authors: tretiak s. J Phys Chem A. 2009 Jul 2;113(26):7535-42. doi: 10.1021/jp900904q. J Phys Chem A. 2009. PMID: 19378966

3

Nonadiabatic excited-state molecular dynamics modeling of photoinduced dynamics in conjugated molecules.

Nelson T, Fernandez-Alberti S, Chernyak V, Roitberg AE, Tretiak S. Nelson T, et al. Among authors: tretiak s. J Phys Chem B. 2011 May 12;115(18):5402-14. doi: 10.1021/jp109522g. Epub 2011 Jan 10. J Phys Chem B. 2011. PMID: 21218841

4

Nonadiabatic excited-state molecular dynamics: numerical tests of convergence and parameters.

Nelson T, Fernandez-Alberti S, Chernyak V, Roitberg AE, Tretiak S. Nelson T, et al. Among authors: tretiak s. J Chem Phys. 2012 Feb 7;136(5):054108. doi: 10.1063/1.3680565. J Chem Phys. 2012. PMID: 22320726

5

Identification of unavoided crossings in nonadiabatic photoexcited dynamics involving multiple electronic states in polyatomic conjugated molecules.

Fernandez-Alberti S, Roitberg AE, Nelson T, Tretiak S. Fernandez-Alberti S, et al. Among authors: tretiak s. J Chem Phys. 2012 Jul 7;137(1):014512. doi: 10.1063/1.4732536. J Chem Phys. 2012. PMID: 22779670

6

Analysis of state-specific vibrations coupled to the unidirectional energy transfer in conjugated dendrimers.

Soler MA, Roitberg AE, Nelson T, Tretiak S, Fernandez-Alberti S. Soler MA, et al. Among authors: tretiak s. J Phys Chem A. 2012 Oct 11;116(40):9802-10. doi: 10.1021/jp301293e. Epub 2012 Oct 2. J Phys Chem A. 2012. PMID: 22985079

7

Shishiodoshi unidirectional energy transfer mechanism in phenylene ethynylene dendrimers.

Fernandez-Alberti S, Roitberg AE, Kleiman VD, Nelson T, Tretiak S. Fernandez-Alberti S, et al. Among authors: tretiak s. J Chem Phys. 2012 Dec 14;137(22):22A526. doi: 10.1063/1.4745835. J Chem Phys. 2012. PMID: 23249063

8

Conformational disorder in energy transfer: beyond Förster theory.

Nelson T, Fernandez-Alberti S, Roitberg AE, Tretiak S. Nelson T, et al. Among authors: tretiak s. Phys Chem Chem Phys. 2013 Jun 21;15(23):9245-56. doi: 10.1039/c3cp50857a. Epub 2013 May 8. Phys Chem Chem Phys. 2013. PMID: 23657784

9

Nonadiabatic excited-state molecular dynamics: treatment of electronic decoherence.

Nelson T, Fernandez-Alberti S, Roitberg AE, Tretiak S. Nelson T, et al. Among authors: tretiak s. J Chem Phys. 2013 Jun 14;138(22):224111. doi: 10.1063/1.4809568. J Chem Phys. 2013. PMID: 23781787

10

Nonadiabatic excited-state molecular dynamics: modeling photophysics in organic conjugated materials.

Nelson T, Fernandez-Alberti S, Roitberg AE, Tretiak S. Nelson T, et al. Among authors: tretiak s. Acc Chem Res. 2014 Apr 15;47(4):1155-64. doi: 10.1021/ar400263p. Epub 2014 Mar 27. Acc Chem Res. 2014. PMID: 24673100

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