Guillermo Pérez-Hernández
Guillermo Pérez-Hernández
Verified email at charite.de - Homepage
TitleCited byYear
Identification of slow molecular order parameters for Markov model construction
G Pérez-Hernández, F Paul, T Giorgino, G De Fabritiis, F Noé
The Journal of chemical physics 139 (1), 07B604_1, 2013
3452013
PyEMMA 2: A software package for estimation, validation, and analysis of Markov models
MK Scherer, B Trendelkamp-Schroer, F Paul, G Pérez-Hernández, ...
Journal of chemical theory and computation 11 (11), 5525-5542, 2015
2372015
Variational approach to molecular kinetics
F Nüske, BG Keller, G Pérez-Hernández, ASJS Mey, F Noé
Journal of chemical theory and computation 10 (4), 1739-1752, 2014
1392014
Anisotropy of the water–carbon interaction: molecular simulations of water in low-diameter carbon nanotubes
G Pérez-Hernández, B Schmidt
Physical Chemistry Chemical Physics 15 (14), 4995-5006, 2013
282013
The chromophore structure of the cyanobacterial phytochrome Cph1 as predicted by time-dependent density functional theory
RA Matute, R Contreras, G Pérez-Hernández, L González
The Journal of Physical Chemistry B 112 (51), 16253-16256, 2008
242008
Mechanistic insight into light-driven molecular rotors: a conformational search in chiral overcrowded alkenes by a pseudo-random approach
G Pérez-Hernández, L González
Physical Chemistry Chemical Physics 12 (38), 12279-12289, 2010
232010
Biologically inspired molecular machines driven by light. Optimal control of a unidirectional rotor
G Pérez-Hernández, A Pelzer, L González, T Seideman
New Journal of Physics 12 (7), 075007, 2010
222010
Hierarchical time-lagged independent component analysis: computing slow modes and reaction coordinates for large molecular systems
G Pérez-Hernández, F Noé
Journal of chemical theory and computation 12 (12), 6118-6129, 2016
212016
Exploring the Dynamics of Propeller Loops in Human Telomeric DNA Quadruplexes Using Atomistic Simulations
B Islam, P Stadlbauer, A Gil Ley, G Pérez-Hernández, S Haider, S Neidle, ...
Journal of Chemical Theory and Computation, 2017
132017
On the light-driven isomerization of a model asymmetric molecular rotor: Conformations and conical intersections of 2-Cyclopentylidene-tetrahydrofuran
M Assmann, G Pérez-Hernández, L González
The Journal of Physical Chemistry A 114 (34), 9342-9348, 2010
132010
Towards Toroidal Hydrogen Bonds
I Barth, J Manz, G Perez-Hernandez, P Sebald
Zeitschrift für Physikalische Chemie International journal of research in …, 2008
132008
IR Spectrum of FHF–and FDF–Revisited Using a Spectral Method in Four Dimensions
G Pérez-Hernández, J González-Vázquez, L González
The Journal of Physical Chemistry A 116 (46), 11361-11369, 2012
122012
Excited state dynamics of a model asymmetric molecular rotor: A five-dimensional study on 2-cyclopentylidene-tetrahydrofuran
M Assmann, CS Sanz, G Pérez-Hernández, GA Worth, L González
Chemical Physics 377 (1), 86-95, 2010
102010
Rydberg or Valence? The Long‐Standing Question in the UV Absorption Spectrum of 1, 1′‐Bicyclohexylidene
G Pérez‐Hernández, L González, L Serrano‐Andrés
ChemPhysChem 9 (17), 2544-2549, 2008
92008
Singlet oxygen generation versus O–O homolysis in phenyl-substituted anthracene endoperoxides investigated by RASPT2, CASPT2, CC2, and TD-DFT methods
S Kupfer, G Pérez-Hernández, L González
Theoretical Chemistry Accounts 131 (12), 1295, 2012
52012
Laser Control of Wavepacket Photodissociation and Photoisomerization Dynamics in Isolated Molecules
L González, T Rozgonyi, D Ambrosek, G Pérez‐Hernández
AIP Conference Proceedings 963 (1), 576-585, 2007
2007
Mechanistic insight into light-driven molecular rotors: a conformational search in overcrowded alkenes by a pseudo-random approach.
G Pérez-Hernández, L González
Light-triggered unidirectional molecular rotors: theoretical investigations on conformational dynamics and laser control
G Pérez Hernández
Jena, Univ., Diss., 2010, 0
The system can't perform the operation now. Try again later.
Articles 1–18