Wolfgang Wenzel

25 papers Misc 2Journal 16Unranked 7

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	GENIUS: An Agentic AI Framework for Autonomous Design and Execution of Simulation Protocols. CoRR Mohammad Soleymanibrojeni, Roland Aydin, Diego Guedes-Sobrinho, Alexandre C. Dias, Maurício J. Piotrowski, Wolfgang Wenzel, Celso Ricardo Caldeira Rêgo
2023	J	`jnl`	How cation nature controls the bandgap and bulk Rashba splitting of halide perovskites. J. Comput. Chem. Luis Octavio de Araujo, Celso R. C. Rêgo, Wolfgang Wenzel, Danilo N. Silveira, Maurício J. Piotrowski, Fernando P. Sabino, Yohanes Pramudya, Diego Guedes-Sobrinho
2023	J	`jnl`	Interpretable delta-learning of GW quasiparticle energies from GGA-DFT. Mach. Learn. Sci. Technol. Artem Fediai, Patrick Reiser, Jorge Enrique Olivares Peña, Wolfgang Wenzel, Pascal Friederich
2022	J	`jnl`	Local Electronic Charge Transfer in the Helical Induction of Cis-Transoid Poly(4-carboxyphenyl)acetylene by Chiral Amines. J. Chem. Inf. Model. Montserrat Penaloza-Amion, Celso R. C. Rêgo, Wolfgang Wenzel
2021	J	`jnl`	Analyzing dynamical disorder for charge transport in organic semiconductors via machine learning. CoRR Patrick Reiser, Manuel Konrad, Artem Fediai, Salvador León, Wolfgang Wenzel, Pascal Friederich
2016	Misc	`conf`	Multiscale Simulation of Organic Electronics Via Smart Scheduling of Quantum Mechanics Computations. ICCS Pascal Friederich, Timo Strunk, Wolfgang Wenzel, Ivan Kondov
2015	J	`jnl`	Multiparticle moves in acceptance rate optimized monte carlo. J. Comput. Chem. Tobias Neumann, Denis Danilov, Wolfgang Wenzel
2014	J	`jnl`	SLIM: An improved generalized Born implicit membrane model. J. Comput. Chem. Julia Setzler, Carolin Seith, Martin Brieg, Wolfgang Wenzel
2013	J	`jnl`	Modeling disordered morphologies in organic semiconductors. J. Comput. Chem. Tobias Neumann, Denis Danilov, Christian Lennartz, Wolfgang Wenzel
2012	J	`jnl`	Modeling loop backbone flexibility in receptor-ligand docking simulations. J. Comput. Chem. Johannes Flick, Frank Tristram, Wolfgang Wenzel
2012	J	`jnl`	SIMONA 1.0: An efficient and versatile framework for stochastic simulations of molecular and nanoscale systems. J. Comput. Chem. Timo Strunk, Moritz Wolf, Martin Brieg, Konstantin V. Klenin, A. Biewer, Frank Tristram, Matthias Ernst, P. J. Kleine, N. Heilmann, Ivan Kondov, Wolfgang Wenzel
2011	—	`conf`	A Pipeline Pilot based SOAP implementation of FlexScreen for High-Throughput Virtual Screening. IWSG-Life Horacio Emilio Pérez Sánchez, Ivan Kondov, José M. García, Konstantin V. Klenin, Wolfgang Wenzel
2011	—	`conf`	Benchmarking the POEM@HOME Network for Protein Structure Prediction. IWSG-Life Timo Strunk, Priya Anand, Martin Brieg, Moritz Wolf, Konstantin V. Klenin, Irene Meliciani, Frank Tristram, Ivan Kondov, Wolfgang Wenzel
2011	J	`jnl`	Derivatives of molecular surface area and volume: Simple and exact analytical formulas. J. Comput. Chem. Konstantin V. Klenin, Frank Tristram, Timo Strunk, Wolfgang Wenzel
2011	Misc	`conf`	Effective Parallelization of Non-bonded Interactions Kernel for Virtual Screening on GPUs. PACBB Ginés D. Guerrero, Horacio Emilio Pérez Sánchez, Wolfgang Wenzel, José M. Cecilia, José M. García
2011	J	`jnl`	Performance assessment of different constraining potentials in computational structure prediction for disulfide-bridged proteins. Comput. Biol. Chem. Ivan Kondov, Abhinav Verma, Wolfgang Wenzel
2010	J	`jnl`	High throughput in-silico screening against flexible protein receptors. J. Cheminformatics Horacio Emilio Pérez Sánchez, Bernhard Fischer, Daria B. Kokh, Holger Merlitz, Wolfgang Wenzel
2009	—	`conf`	Implementation of an effective non-bonded interactions kernel for biomolecular simulations on the Cell processor. GI Jahrestagung Horacio Emilio Pérez Sánchez, Wolfgang Wenzel
2007	J	`jnl`	All-atom J. Comput. Chem. Abhinav Verma, Srinivasa M. Gopal, Jung S. Oh, Kyu H. Lee, Wolfgang Wenzel
2007	—	`conf`	Massively Parallel All Atom Protein Folding in a Single Day. PARCO Abhinav Verma, Srinivasa M. Gopal, Alexander Schug, Jung S. Oh, Konstantin V. Klenin, Kyu H. Lee, Wolfgang Wenzel
2005	—	`conf`	Increasing Diversity in In-silico Screening with Target Flexibility. CompLife Bernhard Fischer, Holger Merlitz, Wolfgang Wenzel
2004	J	`jnl`	Fluctuation analysis and accuracy of a large-scale in silico screen. J. Comput. Chem. Holger Merlitz, Thomas Herges, Wolfgang Wenzel
2004	—	`conf`	High Throughput in-silico Screening against Flexible Protein Receptors. ICCSA (3) Holger Merlitz, Wolfgang Wenzel
2004	—	`conf`	Protein Structure Prediction with Stochastic Optimization Methods: Folding and Misfolding the Villin Headpiece. ICCSA (3) Thomas Herges, Alexander Schug, Wolfgang Wenzel
1999	J	`jnl`	The parallel implementation of configuration-selecting multireference configuration interaction method. J. Comput. Chem. Philipp Stampfuss, Wolfgang Wenzel, Hellmut Keiter