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Adaptive integration of molecular dynamics.
Horenko I, Weiser M. Horenko I, et al. J Comput Chem. 2003 Nov 30;24(15):1921-9. doi: 10.1002/jcc.10335. J Comput Chem. 2003. PMID: 14515374
Fully adaptive propagation of the quantum-classical Liouville equation.
Horenko I, Weiser M, Schmidt B, Schütte C. Horenko I, et al. J Chem Phys. 2004 May 15;120(19):8913-23. doi: 10.1063/1.1691015. J Chem Phys. 2004. PMID: 15267827
The TRAIL (trapezoidal rule for adaptive integration of Liouville dynamics) scheme [I. Horenko and M. Weiser, J. Comput. Chem. 24, 1921 (2003)] has been extended to account for nonadiabatic effects in molecular dynamics described by the quantum-classical Liouville e …
The TRAIL (trapezoidal rule for adaptive integration of Liouville dynamics) scheme [I. Horenko and M. Weiser, J. Comput. Chem. …
Improving clustering by imposing network information.
Gerber S, Horenko I. Gerber S, et al. Among authors: horenko i. Sci Adv. 2015 Aug 7;1(7):e1500163. doi: 10.1126/sciadv.1500163. eCollection 2015 Aug. Sci Adv. 2015. PMID: 26601225 Free PMC article.
22 results