Accelrys Academic Collaborators

Accelrys works closely with leading academic scientists to ensure that our products and scientific research program are maintained at the leading edge. See a list of collaborators in these areas:

Life Science

Professor Charles L. Brooks, III	Scripps Research Institute	Computational biophysics and chemistry (CHARMm)
Dr. Hualiang Jiang	Drug Discovery and Design Center(DDDC), Shanghai Institute of Materia Medica(SIMM), Chinese Academy of Sciences(CAS)	Toxicology
Professor J. Bryan Jones	University of Toronto	Applications of enzymes in organic synthesis
Professor Martin Karplus	Harvard University	Structure, dynamics and energetics of biomolecules (CHARMm)
Professor Andrew McCammon	University of California, San Diego	Protein structure, function, and dynamics
Professor Kyoung Tai No	Bioiformatics & Molecular Design Research Center, Korea	ADME and Toxicology
Professor Benôit Roux	Department of Physiology and Biophysics at the Weill Medical College of Cornell University	Structure and function of ion channerls/ Computational tools for theoretical biophysics (CHARMm)
Dr Andrej Sali	University of California, San Francisco	Bioinformatics, computational structural biology
Dr István Ujváry	Chemical Research Center of the Hungarian Academy of Sciences	Pesticides, natural products and medicinal chemistry
Professor Zhiping Weng	Boston University	Protein docking (ZDOCK code)

Materials Science

Prof. Richard Catlow	The Royal Institution, UK	Computational and structural studies of complex materials
Professor Tim Clark	University of Erlangen	Quantum mechanics (VAMP code)
Dr Stewart Clark	University of Durham	QM for condensed matter (CASTEP code
Dr Bernard Delley	Paul Scherrer Institute	Electronic structure theory (DMol3 code)
Prof Glenn Frederickson	University of California at Santa Barbara	Mesoscale simulation
Dr Phil Hasnip	University of York	QM for condensed matter (CASTEP code
Prof Dieter Hofmann	GKSS	Polymer modeling
Prof Ming-Hsien Lee	Tamkang University, Taiwan	Ab initio calculation fo optical properties
Materials Grid Project	University of Cambridge, Scient & Technology Facilities Council, University of Frankfurt	Large scale computer simulation of physical properties of materials
Dr Francesco Mauri	Laboratoire de Mineralogie-Cristallographie de Paris	CASTEP NMR
MultiMatDesign Project	National Research Centre for the Physical Sciences “Demokritos”, Athens / L' Air Liquide S.A, Paris / Research Institute on Membrane Technology, Rende / Universiteit Leiden / MatSim GmbH, Zurich / A.V. Topchiev Institute of Petrochemical Synthesis, Moscow / Politecnico di Milano / Alma Mater Studiorum - Università di Bologna / Mesodyn BV Oegstgeest	Computer aided molecular design of multifunctional materials with controlled permeability properties
Professor Michael Payne	Cambridge University	QM for condensed matter (CASTEP code)
Dr Chris Pickard	Cavendish Laboratory (Camridge University)	QM for condensed matter (CASTEP code
Dr Matt Probert	University of York	QM for condensed matter (CASTEP code
Dr Keith Refson	Rutherford Appleton Laboratory	QM for condensed matter (CASTEP code
Dr Matt Segall	Cavendish Laboratory (Camridge University)	QM for condensed matter (CASTEP code
Dr Paul Sherwood	Daresbury Laboratory	Hybrid quantum/classical simulations (QMERA, QUANTUMm)
Dr Paul Verwer	University of Nijmegen	Simulation of molecular crystals
Dr Jonathan Yates	Cavendish Laboratory (Cambridge University)	QM for condensed matter (CASTEP NMR)

Nanotechnology

The following individuals are advisors to the Accelrys Nanotechnology Consoritum.

Prof. Richard Catlow	The Royal Institution, UK
Prof. Thomas Frauenheim	BCCMS, Bremer, Germany
Prof. Julian Gale	Curtin University, Perth, Australia
Prof. Yoshiyuki Kawazoe	Tohoku University, Japan
Dr. Amitesh Maiti	Lawrence Livermore National Laboratory, USA
Prof. Matthew Neurock	University of Virginia, USA
Dr. Paul Sherwood	Daresbury Laboratory, UK
Dr. Alessandro de Vita	King's College London, UK