User Group Meeting 2019

This year's UGM was held October 15 - 17 in Vienna, Austria.

Recent Webinars

Use of Polymer Theoretical Concepts in Atomistic Polymer Simulation Software

This presentation provides a summary of how the concepts summarized in Flory’s monograph have been incorporated either directly or indirectly into polymer simulation software. Examples are provided from the various eras of polymer modeling outlined above, and possible future developments are discussed.

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Thermodynamic Properties of Multifunctional Polycyclic Compounds from Simulation

Dr. Philippe Ungerer will demonstrate how to predict thermodynamic properties of organic molecules of complex structure, particularly representative in heavy compounds (C10-C36) of petroleum fluids using Monte Carlo methods, United Atom forcefields and quantum chemistry.

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MedeA Deposition: Atomistic-Scale Simulations of Deposition, Growth, Oxidation, and Etching at your Fingertips

Learn how to use the new MedeA Deposition module available in MedeA 2.22 to deposit gas-phase molecules on to substrates using classical forcefields. Read more.

The Color of Materials: Value from Computed Optical Properties

This webinar demonstrates the prediction of optical properties of materials including their color with Materials Design's software platform MedeA®. More details

Computational Analysis of Organic Photovoltaics and Organic Radical Batteries

Travis Kemper discusses the principle of charge transport in organic materials as it relates to the operation of organic photovoltaics and organic radical batteries. More details.

Users Group Meeting 2009

Oct 21-23 2009, Washington DC

Each year, Materials Design® invites our customers to 3 days of training and scientific exchange.
The 2009 meeting had a strong competition with wonderful museums in walking distance,
but all sessions were full (at least we overheard participants discussing their plans for visiting museums after the meeting.)

The training workshop focused on the many new features of VASP5: hybrid functionals, linear response, and the integration with MedeA - to get a better description of materials.

The scientific presentations clustered around

higher precision (VASP5, GW method),
bigger systems (Peridynamics, Grain boundaries, amorphous systems, forcefields) and
understanding materials properties, such as Mg for automotive applications

Presentations

Opening Remarks

Erich Wimmer

Theory of Solute Strengthening In Mg: From Density Functional Theory to Continuum Mechanics Modeling

Louis Hector Jr - General Motors

Peridynamics Predictions In Dynamic Fracture

Florin Bobaru - U Nebraska‐Lincoln

Strength of Grain Boundaries And Interfaces

Mikael Christensen - Materials Design

Simulated amorphisation and crystallisation of manganese oxides

Phuti Ngoepe - U Limpopo

First-Principles Studies Of Long Periodic Structures (LPS) In Mg Alloys

Mitsumoto Kawai - Honda

Using MedeA/VASP To Estimate Thermal Conductivity

James Vollmer - Bechtel Marine Propulsion

VASP 5 In MedeA®: A Close Look Under the Hood

Walter Wolf

Recent Developments In Force-Field Based Simulations

Dave Rigby, Benoit Leblanc, Paul Saxe

Everything You Always Wanted To Know About the GW Method (But Were Afraid to Ask): The Random Phase Approximation

Georg Kresse - U Vienna

MedeA®: Charting The Course

Paul Saxe - Mater

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