Zobrazeno 1 - 10
of 51
pro vyhledávání: '"Rainer Hegger"'
Autor:
Gabriele D’Avino, Rainer Hegger, Dominik Brey, Praveen K. Budakoti, Stéphane Méry, Irene Burghardt
Publikováno v:
The Journal of Physical Chemistry C. 126:9762-9776
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::243d1938ad622a90e8ba4fc583bacf44
https://doi.org/10.1021/acs.jpcc.2c00527
https://doi.org/10.1021/acs.jpcc.2c00527
Publikováno v:
Journal of chemical theory and computation. 16(9)
We report on first-principles quantum-dynamical and quantum-classical simulations of photoinduced exciton dynamics in oligothiophene chain segments, representative of intrachain exciton migration in the poly(3-hexylthiophene) (P3HT) polymer. Followin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d64ef0ad8983128ea22ac6b6cc8471f8
https://pubmed.ncbi.nlm.nih.gov/32786907
https://pubmed.ncbi.nlm.nih.gov/32786907
Publikováno v:
The Journal of Physical Chemistry Letters. 1:2769-2773
A method to analyze molecular dynamics (MD) simulations of protein folding is proposed, which is based on a principal component analysis (PCA) of the protein’s backbone dihedral angles. The protein is first partitioned into parts (e.g., its seconda
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::af6bce1785b2b85cbd9137bbcfff3739
https://doi.org/10.1021/jz101069e
https://doi.org/10.1021/jz101069e
Autor:
Irene Burghardt, Robert Binder, Stephen J. Cotton, Ruibin Liang, Rainer Hegger, William H. Miller
Publikováno v:
The Journal of Chemical Physics. 149:044101
In the last several years, a symmetrical quasi-classical (SQC) windowing model applied to the classical Meyer-Miller (MM) vibronic Hamiltonian has been shown to be a simple, efficient, general, and quite-accurate method for treating electronically no
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::11bef16f322994188f051bcd1ea06384
https://doi.org/10.1063/1.5037815
https://doi.org/10.1063/1.5037815
Publikováno v:
Physical review letters. 115(5)
Based on a given time series, data-driven Langevin modeling aims to construct a low-dimensional dynamical model of the underlying system. When dealing with physical data as provided by, e.g., all-atom molecular dynamics simulations, effects due to sm
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f9c4ecf546c34448209debb818e6cea9
https://pubmed.ncbi.nlm.nih.gov/26274405
https://pubmed.ncbi.nlm.nih.gov/26274405
Publikováno v:
IEEE Transactions on Circuits and Systems I: Fundamental Theory and Applications. 48:1454-1461
A local projective noise-reduction scheme, originally developed for low-dimensional deterministic stationary signals, is successfully applied to human speech. This is possible by exploiting properties of the speech signal which mimic structure exhibi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::77003d1ee62b73fd461c7eed43c1e7a5
https://doi.org/10.1109/tcsi.2001.972852
https://doi.org/10.1109/tcsi.2001.972852
Publikováno v:
International Journal of Bifurcation and Chaos. 11:1019-1034
We investigate the behavior of an experimental electric resonance circuit with a nonlinear capacitor. Triglycine sulfate (TGS) was used as nonlinear dielectric material. This is the most thoroughly investigated ferroelectric with a second-order phase
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9301a3e6544e244718209e6861f08841
https://doi.org/10.1142/s0218127401002535
https://doi.org/10.1142/s0218127401002535
Publikováno v:
Physical Review Letters. 85:3616-3619
We conjecture that in one-dimensional spatially extended systems the propagation velocity of correlations coincides with a zero of the convective Lyapunov spectrum. This conjecture is successfully tested in three different contexts: (i) a Hamiltonian
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4ec007ef1d9722e8b9cf8897896580c8
https://doi.org/10.1103/physrevlett.85.3616
https://doi.org/10.1103/physrevlett.85.3616
Publikováno v:
Physical Review Letters. 84:3197-3200
A local projective noise reduction scheme, originally developed for low-dimensional stationary deterministic chaotic signals, is successfully applied to human speech. This is possible by exploiting properties of the speech signal which resemble struc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2507da8fb31acc02af126816263576d9
https://doi.org/10.1103/physrevlett.84.3197
https://doi.org/10.1103/physrevlett.84.3197
Autor:
Holger Kantz, Rainer Hegger
Publikováno v:
Physical Review E. 60:4970-4973
The false nearest neighbor method introduced by Kennel et al. [Phys. Rev. A 45, 3403 (1992)] is revisited and modified in order to ensure a correct distinction between low-dimensional chaotic data and noise. Still, correlated noise processes can yiel
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2956be32bc0ccf9a0f67a02b553dd02f
https://doi.org/10.1103/physreve.60.4970
https://doi.org/10.1103/physreve.60.4970