These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
4. Modeling nonadiabatic dynamics in condensed matter materials: some recent advances and applications. Smith B; Akimov AV J Phys Condens Matter; 2020 Feb; 32(7):073001. PubMed ID: 31661681 [TBL] [Abstract][Full Text] [Related]
5. Proceedings of the Second Workshop on Theory meets Industry (Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12-14 June 2007). Hafner J J Phys Condens Matter; 2008 Feb; 20(6):060301. PubMed ID: 21693862 [TBL] [Abstract][Full Text] [Related]
6. Increasing Efficiency of Nonadiabatic Molecular Dynamics by Hamiltonian Interpolation with Kernel Ridge Regression. Wu Y; Prezhdo N; Chu W J Phys Chem A; 2021 Oct; 125(41):9191-9200. PubMed ID: 34636570 [TBL] [Abstract][Full Text] [Related]
7. Photoinduced dynamics in semiconductor quantum dots: insights from time-domain ab initio studies. Prezhdo OV Acc Chem Res; 2009 Dec; 42(12):2005-16. PubMed ID: 19888715 [TBL] [Abstract][Full Text] [Related]
8. Breaking the size limitation of nonadiabatic molecular dynamics in condensed matter systems with local descriptor machine learning. Liu D; Wang B; Wu Y; Vasenko AS; Prezhdo OV Proc Natl Acad Sci U S A; 2024 Sep; 121(36):e2403497121. PubMed ID: 39213179 [TBL] [Abstract][Full Text] [Related]
9. Interpolating Nonadiabatic Molecular Dynamics Hamiltonian with Inverse Fast Fourier Transform. Wang B; Chu W; Prezhdo OV J Phys Chem Lett; 2022 Jan; 13(1):331-338. PubMed ID: 34978830 [TBL] [Abstract][Full Text] [Related]
10. Ab initio nonadiabatic molecular dynamics of charge carriers in metal halide perovskites. Li W; She Y; Vasenko AS; Prezhdo OV Nanoscale; 2021 Jun; 13(23):10239-10265. PubMed ID: 34031683 [TBL] [Abstract][Full Text] [Related]
11. Organic molecules as tools to control the growth, surface structure, and redox activity of colloidal quantum dots. Weiss EA Acc Chem Res; 2013 Nov; 46(11):2607-15. PubMed ID: 23734589 [TBL] [Abstract][Full Text] [Related]
12. Time-Domain Ab Initio Analysis of Excitation Dynamics in a Quantum Dot/Polymer Hybrid: Atomistic Description Rationalizes Experiment. Long R; Prezhdo OV Nano Lett; 2015 Jul; 15(7):4274-81. PubMed ID: 26061416 [TBL] [Abstract][Full Text] [Related]
13. Hierarchical Equations of Motion for Quantum Chemical Dynamics: Recent Methodology Developments and Applications. Bai S; Zhang S; Huang C; Shi Q Acc Chem Res; 2024 Nov; 57(21):3151-3160. PubMed ID: 39381954 [TBL] [Abstract][Full Text] [Related]
14. Spin-vibronic quantum dynamics for ultrafast excited-state processes. Eng J; Gourlaouen C; Gindensperger E; Daniel C Acc Chem Res; 2015 Mar; 48(3):809-17. PubMed ID: 25647179 [TBL] [Abstract][Full Text] [Related]
15. Nonadiabatic molecular dynamics simulations: synergies between theory and experiments. Tavernelli I Acc Chem Res; 2015 Mar; 48(3):792-800. PubMed ID: 25647401 [TBL] [Abstract][Full Text] [Related]
16. The roles of electronic exchange and correlation in charge-transfer- to-solvent dynamics: Many-electron nonadiabatic mixed quantum/classical simulations of photoexcited sodium anions in the condensed phase. Glover WJ; Larsen RE; Schwartz BJ J Chem Phys; 2008 Oct; 129(16):164505. PubMed ID: 19045282 [TBL] [Abstract][Full Text] [Related]
17. Concentric Approximation for Fast and Accurate Numerical Evaluation of Nonadiabatic Coupling with Projector Augmented-Wave Pseudopotentials. Chu W; Prezhdo OV J Phys Chem Lett; 2021 Apr; 12(12):3082-3089. PubMed ID: 33750138 [TBL] [Abstract][Full Text] [Related]
18. Time-domain ab initio modeling of photoinduced dynamics at nanoscale interfaces. Wang L; Long R; Prezhdo OV Annu Rev Phys Chem; 2015 Apr; 66():549-79. PubMed ID: 25622188 [TBL] [Abstract][Full Text] [Related]
19. Charge transport in nanoscale junctions. Albrecht T; Kornyshev A; Bjørnholm T J Phys Condens Matter; 2008 Sep; 20(37):370301. PubMed ID: 21694407 [TBL] [Abstract][Full Text] [Related]