NNIN Seminar

An Introduction to Materials Studio

Dr. Michael Doyle

Director of Product Marketing and Principal Scientist
Thursday, July 25, 2013
1:30pm - 2:30pm

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About the Event

Materials Studio® is the one of the world’s most advanced client-server software system for advanced materials simulation and modeling. Materials Studio makes it easy to create and study molecular structures, lattices, surfaces, meso-scale structures and to exploiting stunning graphics capabilities to present your results. Materials Studio draws on well-validated and widely applied simulation methods including quantum mechanics, molecular mechanics, meso-scale modeling, analytical instrument simulation, and statistical correlations in to one easy-to-use modeling environment. These techniques are supported by structure-building and visualization capabilities and tools to analyze and present scientific data. This course will cover the basics of how to build structures within the materials studio environment, perform initial calculations, submit batch jobs and move models and structures from the atomistic to quantum and meso-scale regimes. The following are some of the highlights that will be covered: a) Managing projects using the Project Explorer. b) Sketching simple molecules. c) Sketching complex molecules such organometallics using the fragment sketcher. d) Defining fragments and repeat units to build polymers. e) Analyzing and adjusting geometrical properties such as torsions, angles and distances. f) Using the symmetry tools for molecular and periodic systems. g) Working with the different display style options. h) Integration with publishing software. i) Building crystals and surfaces. j) Building layered structures and crystal interfaces. k) Working with volumetric data – isosurfaces and slices.


Michael Doyle earned his PhD, Masters and Bachelor degrees at University of Cambridge in the UK. He previously worked with ICI agrochemicals, BP Central Research, and BPX, then joined Accelrys in 2001. His background is in Modeling, Simulation, Statistics, Informatics, and he has special interests in Catalysis, exploration and formulation tools.

Additional Information

Contact: Dr. Behrouz Shiari

Phone: 734-615-4804


Sponsor(s): NNIN Computation Program at Michigan

Open to: Public

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