Wolfgang Wenzel

According to our database, Wolfgang Wenzel authored at least 24 papers between 1999 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2023

Interpretable delta-learning of GW quasiparticle energies from GGA-DFT.

Artem Fediai, Patrick Reiser, Jorge Enrique Olivares Peña, Wolfgang Wenzel, Pascal Friederich

Mach. Learn. Sci. Technol., September, 2023

How cation nature controls the bandgap and bulk Rashba splitting of halide perovskites.

Luis Octavio de Araujo, Celso R. C. Rêgo, Wolfgang Wenzel, Danilo N. Silveira, Maurício J. Piotrowski, Fernando P. Sabino, Yohanes Pramudya, Diego Guedes-Sobrinho

J. Comput. Chem., 2023

2022

Local Electronic Charge Transfer in the Helical Induction of Cis-Transoid Poly(4-carboxyphenyl)acetylene by Chiral Amines.

Montserrat Penaloza-Amion, Celso R. C. Rêgo, Wolfgang Wenzel

J. Chem. Inf. Model., 2022

2021

Analyzing dynamical disorder for charge transport in organic semiconductors via machine learning.

Patrick Reiser, Manuel Konrad, Artem Fediai, Salvador León, Wolfgang Wenzel, Pascal Friederich

CoRR, 2021

2016

Multiscale Simulation of Organic Electronics Via Smart Scheduling of Quantum Mechanics Computations.

Pascal Friederich, Timo Strunk, Wolfgang Wenzel, Ivan Kondov

Proceedings of the International Conference on Computational Science 2016, 2016

2015

Multiparticle moves in acceptance rate optimized monte carlo.

Tobias Neumann, Denis Danilov, Wolfgang Wenzel

J. Comput. Chem., 2015

2014

SLIM: An improved generalized Born implicit membrane model.

Julia Setzler, Carolin Seith, Martin Brieg, Wolfgang Wenzel

J. Comput. Chem., 2014

2013

Modeling disordered morphologies in organic semiconductors.

Tobias Neumann, Denis Danilov, Christian Lennartz, Wolfgang Wenzel

J. Comput. Chem., 2013

2012

SIMONA 1.0: An efficient and versatile framework for stochastic simulations of molecular and nanoscale systems.

Timo Strunk, Moritz Wolf, Martin Brieg, Konstantin V. Klenin, A. Biewer, Frank Tristram, Matthias Ernst, P. J. Kleine, N. Heilmann, Ivan Kondov, Wolfgang Wenzel

J. Comput. Chem., 2012

Modeling loop backbone flexibility in receptor-ligand docking simulations.

Johannes Flick, Frank Tristram, Wolfgang Wenzel

J. Comput. Chem., 2012

2011

Derivatives of molecular surface area and volume: Simple and exact analytical formulas.

Konstantin V. Klenin, Frank Tristram, Timo Strunk, Wolfgang Wenzel

J. Comput. Chem., 2011

Performance assessment of different constraining potentials in computational structure prediction for disulfide-bridged proteins.

Ivan Kondov, Abhinav Verma, Wolfgang Wenzel

Comput. Biol. Chem., 2011

Effective Parallelization of Non-bonded Interactions Kernel for Virtual Screening on GPUs.

Ginés D. Guerrero, Horacio Emilio Pérez Sánchez, Wolfgang Wenzel, José M. Cecilia, José M. García

Proceedings of the 5th International Conference on Practical Applications of Computational Biology & Bioinformatics, 2011

Benchmarking the POEM@HOME Network for Protein Structure Prediction.

Timo Strunk, Priya Anand, Martin Brieg, Moritz Wolf, Konstantin V. Klenin, Irene Meliciani, Frank Tristram, Ivan Kondov, Wolfgang Wenzel

Proceedings of the 3rd International Workshop on Science Gateways for Life Sciences, 2011

A Pipeline Pilot based SOAP implementation of FlexScreen for High-Throughput Virtual Screening.

Horacio Emilio Pérez Sánchez, Ivan Kondov, José M. García, Konstantin V. Klenin, Wolfgang Wenzel

Proceedings of the 3rd International Workshop on Science Gateways for Life Sciences, 2011

2010

High throughput in-silico screening against flexible protein receptors.

Horacio Emilio Pérez Sánchez, Bernhard Fischer, Daria B. Kokh, Holger Merlitz, Wolfgang Wenzel

J. Cheminformatics, 2010

2009

Implementation of an effective non-bonded interactions kernel for biomolecular simulations on the Cell processor.

Horacio Emilio Pérez Sánchez, Wolfgang Wenzel

Proceedings of the 39. Jahrestagung der Gesellschaft für Informatik, Im Focus das Leben, INFORMATIK 2009, Lübeck, Germany, September 28, 2009

2007

All-atom <i>de novo</i> protein folding with a scalable evolutionary algorithm.

Abhinav Verma, Srinivasa M. Gopal, Jung S. Oh, Kyu H. Lee, Wolfgang Wenzel

J. Comput. Chem., 2007

Massively Parallel All Atom Protein Folding in a Single Day.

Abhinav Verma, Srinivasa M. Gopal, Alexander Schug, Jung S. Oh, Konstantin V. Klenin, Kyu H. Lee, Wolfgang Wenzel

Proceedings of the Parallel Computing: Architectures, 2007

2005

Increasing Diversity in In-silico Screening with Target Flexibility.

Bernhard Fischer, Holger Merlitz, Wolfgang Wenzel

Proceedings of the Computational Life Sciences, First International Symposium, 2005

2004

Fluctuation analysis and accuracy of a large-scale in silico screen.

Holger Merlitz, Thomas Herges, Wolfgang Wenzel

J. Comput. Chem., 2004

High Throughput in-silico Screening against Flexible Protein Receptors.

Holger Merlitz, Wolfgang Wenzel

Proceedings of the Computational Science and Its Applications, 2004

Protein Structure Prediction with Stochastic Optimization Methods: Folding and Misfolding the Villin Headpiece.

Thomas Herges, Alexander Schug, Wolfgang Wenzel

Proceedings of the Computational Science and Its Applications, 2004

1999

The parallel implementation of configuration-selecting multireference configuration interaction method.

Philipp Stampfuss, Wolfgang Wenzel, Hellmut Keiter

J. Comput. Chem., 1999