Wolfgang Wenzel

Summary

Publications

  1. doi request reprint Generalized Born implicit solvent models for small molecule hydration free energies
    Martin Brieg
    Steinbuch Centre for Computing SCC, Karlsruhe Institute of Technology KIT, P O Box 3640, 76021 Karlsruhe, Germany and Institute of Nanotechnology INT, Karlsruhe Institute of Technology KIT, P O Box 3640, 76021 Karlsruhe, Germany
    Phys Chem Chem Phys 19:1677-1685. 2017
  2. doi request reprint Modelling of reversible single chain polymer self-assembly: from the polymer towards the protein limit
    Denis Danilov
    Institute of Nanotechnology INT, Karlsruhe Institute of Technology KIT, Hermann von Helmholtz Platz 1, 76344 Eggenstein Leopoldshafen, Germany
    Chem Commun (Camb) 51:6002-5. 2015
  3. pmc Different interface orientations of pentacene and PTCDA induce different degrees of disorder
    Angela Poschlad
    Institute for Nanotechnology, Karlsruhe Institute of Technology KIT, Karlsruhe, 76131, Germany
    Nanoscale Res Lett 7:248. 2012
  4. pmc Unique phenotype in a patient with CHARGE syndrome
    Shobhit Jain
    State University of New York Downstate Medical Center, Children s Hospital at Downstate, Department of Pediatrics, Division of Pediatric Endocrinology, Brooklyn, NY 11203 USA
    Int J Pediatr Endocrinol 2011:11. 2011
  5. doi request reprint Ab Initio Treatment of Disorder Effects in Amorphous Organic Materials: Toward Parameter Free Materials Simulation
    Pascal Friederich
    Institute of Nanotechnology INT, Karlsruhe Institute of Technology KIT, Karlsruhe 76021, Germany
    J Chem Theory Comput 10:3720-5. 2014
  6. doi request reprint Sub-50 nm Channel Vertical Field-Effect Transistors using Conventional Ink-Jet Printing
    Tessy Theres Baby
    Institute for Nanotechnology, Karlsruhe Institute of Technology KIT, Hermann von Helmholtz Platz 1, 76344, Eggenstein Leopoldshafen, Germany
    Adv Mater 29:. 2017
  7. doi request reprint Charge Transport by Superexchange in Molecular Host-Guest Systems
    Franz Symalla
    Institute of Nanotechnology, Karlsruhe Institute of Technology, Karlsruhe, Hermann von Helmholtz Platz 1, 76344 Eggenstein Leopoldshafen, Germany
    Phys Rev Lett 117:276803. 2016
  8. doi request reprint SLIM: an improved generalized Born implicit membrane model
    Julia Setzler
    Institute of Nanotechnology INT, Karlsruhe Institute of Technology KIT, P O Box 3640, 76021, Karlsruhe, Germany
    J Comput Chem 35:2027-39. 2014
  9. doi request reprint Multiparticle moves in acceptance rate optimized Monte Carlo
    Tobias Neumann
    Institute of Nanotechnology, Karlsruhe Institute of Technology, PO Box 3640, D 76021, Karlsruhe, Germany
    J Comput Chem 36:2236-45. 2015
  10. doi request reprint QM/QM approach to model energy disorder in amorphous organic semiconductors
    Pascal Friederich
    Institute of Nanotechnology INT, Karlsruhe Institute of Technology INT, Hermann von Helmholtz Platz 1, 76344 Eggenstein Leopoldshafen, Germany
    J Chem Theory Comput 11:560-7. 2015

Collaborators

  • Pascal Friederich
  • Denis Danilov
  • Franz Symalla
  • Tobias Neumann
  • Velimir Meded
  • Martin Brieg
  • Julia Setzler
  • Tessy Theres Baby
  • Horst Hahn
  • Christian Kübel
  • Wei Guo
  • Angela Poschlad
  • Shobhit Jain
  • Falk von Seggern
  • Christian Reitz
  • Manuel Rommel
  • Simone Dehm
  • Steffen Albert
  • Subho Dasgupta
  • Andrea Massé
  • Christof Wöll
  • Zhi Chen
  • Osama Shekhah
  • Engelbert Redel
  • Reinder Coehoorn
  • Alexander Welle
  • Peter Bobbert
  • Wilhelm Pfleging
  • Herbert Gleiter
  • Chengwu Yang
  • Christopher Barner-Kowollik
  • Marcus Elstner
  • Carolin Seith
  • Robert Maul
  • Felicitas Lacbawan
  • Morris Schoeneman
  • Irene Meliciani
  • Lawrence C Layman
  • Josefina Sharma
  • Elka Jacobson-Dickman
  • Svetlana Ten
  • Hyung Goo Kim
  • Ingo Kurth

Detail Information

Publications12

  1. doi request reprint Generalized Born implicit solvent models for small molecule hydration free energies
    Martin Brieg
    Steinbuch Centre for Computing SCC, Karlsruhe Institute of Technology KIT, P O Box 3640, 76021 Karlsruhe, Germany and Institute of Nanotechnology INT, Karlsruhe Institute of Technology KIT, P O Box 3640, 76021 Karlsruhe, Germany
    Phys Chem Chem Phys 19:1677-1685. 2017
    ..The findings presented here will help to improve the existing generalized Born based implicit solvent models implemented in state-of-the-art molecular simulation packages...
  2. doi request reprint Modelling of reversible single chain polymer self-assembly: from the polymer towards the protein limit
    Denis Danilov
    Institute of Nanotechnology INT, Karlsruhe Institute of Technology KIT, Hermann von Helmholtz Platz 1, 76344 Eggenstein Leopoldshafen, Germany
    Chem Commun (Camb) 51:6002-5. 2015
    ....
  3. pmc Different interface orientations of pentacene and PTCDA induce different degrees of disorder
    Angela Poschlad
    Institute for Nanotechnology, Karlsruhe Institute of Technology KIT, Karlsruhe, 76131, Germany
    Nanoscale Res Lett 7:248. 2012
    ..Here, we show that the degree of disorder at the interface depends largely on the crystal orientation and that more ordered interfaces generally suffer from large vacancy formation...
  4. pmc Unique phenotype in a patient with CHARGE syndrome
    Shobhit Jain
    State University of New York Downstate Medical Center, Children s Hospital at Downstate, Department of Pediatrics, Division of Pediatric Endocrinology, Brooklyn, NY 11203 USA
    Int J Pediatr Endocrinol 2011:11. 2011
    ..Our report continues to expand the CHARGE phenotype and highlights that stringent fulfillment of conventional criteria should not strictly guide genetic analysis...
  5. doi request reprint Ab Initio Treatment of Disorder Effects in Amorphous Organic Materials: Toward Parameter Free Materials Simulation
    Pascal Friederich
    Institute of Nanotechnology INT, Karlsruhe Institute of Technology KIT, Karlsruhe 76021, Germany
    J Chem Theory Comput 10:3720-5. 2014
    ..g. guest-host morphologies, organic-organic interfaces, and thus offers the potential to significantly contribute to de novo materials design. ..
  6. doi request reprint Sub-50 nm Channel Vertical Field-Effect Transistors using Conventional Ink-Jet Printing
    Tessy Theres Baby
    Institute for Nanotechnology, Karlsruhe Institute of Technology KIT, Hermann von Helmholtz Platz 1, 76344, Eggenstein Leopoldshafen, Germany
    Adv Mater 29:. 2017
    ....
  7. doi request reprint Charge Transport by Superexchange in Molecular Host-Guest Systems
    Franz Symalla
    Institute of Nanotechnology, Karlsruhe Institute of Technology, Karlsruhe, Hermann von Helmholtz Platz 1, 76344 Eggenstein Leopoldshafen, Germany
    Phys Rev Lett 117:276803. 2016
    ..Superexchange increases the rate of emitter-to-emitter hopping, in particular if the emitter molecules act as relatively deep trap states, and allows for percolation path formation in charge transport at low guest concentrations...
  8. doi request reprint SLIM: an improved generalized Born implicit membrane model
    Julia Setzler
    Institute of Nanotechnology INT, Karlsruhe Institute of Technology KIT, P O Box 3640, 76021, Karlsruhe, Germany
    J Comput Chem 35:2027-39. 2014
    ..Simulations of three membrane proteins demonstrate that this model correctly reproduces known properties of these proteins in agreement with experimental or other computational studies...
  9. doi request reprint Multiparticle moves in acceptance rate optimized Monte Carlo
    Tobias Neumann
    Institute of Nanotechnology, Karlsruhe Institute of Technology, PO Box 3640, D 76021, Karlsruhe, Germany
    J Comput Chem 36:2236-45. 2015
    ..AROMoCa can be applied to all MC simulations where a gradient of the potential is available and can help to significantly speed up molecular simulations...
  10. doi request reprint QM/QM approach to model energy disorder in amorphous organic semiconductors
    Pascal Friederich
    Institute of Nanotechnology INT, Karlsruhe Institute of Technology INT, Hermann von Helmholtz Platz 1, 76344 Eggenstein Leopoldshafen, Germany
    J Chem Theory Comput 11:560-7. 2015
    ....
  11. doi request reprint Mechanisms of Nanoglass Ultrastability
    Denis Danilov
    Institute of Nanotechnology, Karlsruhe Institute of Technology, 76344 Eggenstein Leopoldshafen, Germany
    ACS Nano 10:3241-7. 2016
    ..The resulting material represents a noncrystalline state that differs from a bulk glass with the same chemical composition and a glass obtained from nanoparticles derived from the bulk glass. ..
  12. doi request reprint Bi₂O₃ nanoparticles encapsulated in surface mounted metal-organic framework thin films
    Wei Guo
    Karlsruhe Institute of Technology, Institute of Functional Interfaces IFG, Hermann von Helmholtz Platz 1, 76344 Eggenstein Leopoldshafen, Germany
    Nanoscale 8:6468-72. 2016
    ..The Bi2O3 semiconductor NPs (diameter 1-3 nm)/SURMOF heterostructures exhibit superior photo-efficiencies compared to NPs synthesized using conventional routes, as demonstrated via the photodegradation of the nuclear fast red (NFR) dye. ..