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Ivan Kondov
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Quantum Dynamics of Photoinduced Electron-Transfer Reactions in Dye− Semiconductor Systems: First-Principles Description and Application to Coumarin 343− TiO2
I Kondov, M Čížek, C Benesch, H Wang, M Thoss
The Journal of Physical Chemistry C 111 (32), 11970-11981, 2007
1712007
Dynamical Simulation of Photoinduced Electron Transfer Reactions in Dye− Semiconductor Systems with Different Anchor Groups
J Li, M Nilsing, I Kondov, H Wang, P Persson, S Lunell, M Thoss
The Journal of Physical Chemistry C 112 (32), 12326-12333, 2008
972008
Theoretical study of ultrafast heterogeneous electron transfer reactions at dye-semiconductor interfaces: Coumarin 343 at titanium oxide
I Kondov, M Thoss, H Wang
The Journal of Physical Chemistry A 110 (4), 1364-1374, 2006
952006
Theoretical study of ultrafast heterogeneous electron transfer reactions at dye–semiconductor interfaces
M Thoss, I Kondov, H Wang
Chemical physics 304 (1-2), 169-181, 2004
942004
Theoretical study of photoinduced electron-transfer processes in the dye− semiconductor system alizarin− TiO2
J Li, I Kondov, H Wang, M Thoss
The Journal of Physical Chemistry C 114 (43), 18481-18493, 2010
802010
Molecular origin of the charge carrier mobility in small molecule organic semiconductors
P Friederich, V Meded, A Poschlad, T Neumann, V Rodin, V Stehr, ...
Advanced Functional Materials 26 (31), 5757-5763, 2016
722016
Vibronic Effects in single molecule conductance: first-principles description and application to benzenealkanethiolates between gold Electrodes
C Benesch, M Cizek, J Klimeš, I Kondov, M Thoss, W Domcke
The Journal of Physical Chemistry C 112 (26), 9880-9890, 2008
692008
Computational study of titanium (IV) complexes with organic chromophores
I Kondov, H Wang, M Thoss
International journal of quantum chemistry 106 (6), 1291-1303, 2006
512006
Efficiency of different numerical methods for solving Redfield equations
I Kondov, U Kleinekathöfer, M Schreiber
The Journal of Chemical Physics 114 (4), 1497-1504, 2001
472001
Correlated electron-nuclear dynamics in ultrafast photoinduced electron-transfer reactions at dye-semiconductor interfaces
M Thoss, I Kondov, H Wang
Physical Review B 76 (15), 153313, 2007
442007
Perturbative treatment of intercenter coupling in the framework of Redfield theory
U Kleinekathöfer, I Kondov, M Schreiber
Chemical Physics 268 (1-3), 121-130, 2001
402001
SIMONA 1.0: An efficient and versatile framework for stochastic simulations of molecular and nanoscale systems
T Strunk, M Wolf, M Brieg, K Klenin, A Biewer, F Tristram, M Ernst, ...
Journal of computational chemistry 33 (32), 2602-2613, 2012
332012
Preparing hpc applications for exascale: Challenges and recommendations
E Ábrahám, C Bekas, I Brandic, S Genaim, EB Johnsen, I Kondov, ...
Network-Based Information Systems (NBiS), 2015 18th International Conference …, 2015
302015
Stochastic unraveling of time-local quantum master equations beyond the Lindblad class
U Kleinekathöfer, I Kondov, M Schreiber
Physical Review E 66 (3), 037701, 2002
272002
Memory effects in the fluorescence depolarization dynamics studied within the B850 ring of purple bacteria
U Kleinekathöfer, I Barvík, P Heřman, I Kondov, M Schreiber
The Journal of Physical Chemistry B 107 (50), 14094-14102, 2003
242003
Stochastic unraveling of Redfield master equations and its application to electron transfer problems
I Kondov, U Kleinekathöfer, M Schreiber
The Journal of chemical physics 119 (13), 6635-6646, 2003
242003
Quantum dynamical simulation of photoinduced electron transfer processes in dye–semiconductor systems: theory and application to coumarin 343 at TiO2
J Li, I Kondov, H Wang, M Thoss
Journal of Physics: Condensed Matter 27 (13), 134202, 2015
222015
A service-oriented framework for integration of domain-specific data models in scientific workflows
A Bender, A Poschlad, S Bozic, I Kondov
Procedia Computer Science 18, 1087-1096, 2013
172013
Protein structure prediction using distributed parallel particle swarm optimization
I Kondov
Natural Computing 12 (1), 29-41, 2013
152013
A density matrix approach to photoinduced electron injection
M Schreiber, I Kondov, U Kleinekathöfer
Journal of luminescence 94, 471-474, 2001
152001
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