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Journal Article 7 Conference Presentation 1 Master Thesis 1 Talk (non-conference) 1

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Journal Article

Event-by-event simulation of quantum phenomena

De Raedt, H.
2012

Annalen der Physik, 524 (2012) S. 393 - 410

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Journal Article

Strikingly Different Effects of Hydrogen Bonding on the Photodynamics of Individual Nucleobases in DNA: Comparison of Guanine and Cytosine

Zeleny, T.
2012

Journal of the American Chemical Society, 134 (2012) S. 13662 - 13669

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Conference Presentation

Block Iterative Solvers and Sequences of Eigenproblems arising in Electronic Structure Calculations

Di Napoli, E.
2012

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Proposal for an Interference Experiment to Test the Applicability of Quantum Theory to Event-Based Processes

Michielsen, K.
2012

Journal of the Physical Society of Japan, 81 (2012) S. 034001

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Journal Article

Columbus - a program system for advanced multireference theory calculations

Lischka, H.
2011

Wiley Interdisciplinary Reviews: Computational Molecular Science, 1 (2011) S. 191 - 199

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Talk (non-conference)

Quantum Theory of Materials: an Introduction to Density Functional Theory and its Computational Challenges

Di Napoli, E.
2011

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Classical and quantum statistical analysis of a constraint satisfaction problem

Peschina, Markus
2010

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Journal Article

Azomethane: Nonadiabatic Photodynamical Simulations in Solution

Ruckenbauer, M.
2010

The @journal of physical chemistry / A, 114 (2010) S. 12585 - 12590

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Nonadiabatic Excited-State Dynamics with Hybrid ab Initio Quantum-Mechanical/Molecular-Mechanical Methods: Solvation of the Pentadieniminium Cation in Apolar Media

Ruckenbauer, M.
2010

The @journal of physical chemistry / A, 114 (2010) S. 6757 - 6765

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Dispersion Terms and Analysis of Size- and Charge-Dependence in an Enhanced Poisson-Boltzmann Approach

Kar, P.
2007

The @journal of physical chemistry / B, 111 (2007) S. 8910 - 8911

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Publications database 10 Open Access 1

Journal Article 7 Conference Presentation 1 Master Thesis 1 Talk (non-conference) 1

Lischka, H. 4 Mueller, Thomas 4 Ruckenbauer, M. 3 Barbatti, M. 2 De Raedt, H. 2 Di Napoli, Edoardo 2 more ... Michielsen, Kristel 2 Aquino, A.J.A. 1 Barbara, B. 1 Drsata, T. 1 Hansmann, U. H. E. 1 Hase, W.L. 1 Höfinger, S. 1 Kar, P. 1 Lankas, F. 1 Lippert, Thomas 1 Mijashita, S. 1 Nachtigallova, D. 1 Peschina, M. 1 Pitzer, R.M. 1 Richter, Marcus 1 Seel, M. 1 Sellner, B. 1 Shavitt, I. 1 Shepard, R. 1 Szalay, P.G. 1 Zeleny, T. 1 see all ... less ...

Scientific Computing Computational Science and Mathematical Methods 7 Simulation and Data Laboratory Quantum Materials (SDLQM) 2

Jülich Supercomputing Center; JSC 9 John von Neumann - Institut für Computing; NIC 1

2012 4 2010 3 2011 2 2007 1

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