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  • Katherine Hollingsworth

2018 MedeA User Group Meeting September 18th through 20th in Pittsburgh, Pennsylvania

We invite you to join the 2018 MedeA User Group Meeting September 18th through 20th in Pittsburgh, Pennsylvania.

The 2018 Materials Design, Inc. User Group Meeting will be held in Pittsburgh, Pennsylvania, from the 18th to the 20th of September. The meeting includes hands-on training session, a technical program dedicated to recent developments in computational materials science, and interactive sessions with MedeA users and Materials Design, Inc. personnel. This year’s presenters include:

Kenneth Jordan, University of Pittsburgh, Pennsylvania, USA

Quantum Monte Carlo Methods for Accurate Interaction Energies

Kenneth Jordan is Professor of Computational Chemistry at the University of Pittsburgh. Professor Jordan employs ab initio quantum mechanical techniques in the accurate analysis of the properties of molecules and clusters, reactions at surfaces, and electron transport in close collaboration with leading experimental groups.

Joachim Sauer, Humboldt University, Berlin, Germany

Computational Catalysis: The Standard Model and Beyond

Joachim Sauer is Professor of Physical and Theoretical Chemistry at the Humboldt-University in Berlin and a longstanding member of the Max Planck Society. Professor Sauer’s research explores the application of quantum mechanical methods in chemistry, with emphasis on surface science, particularly adsorption and catalysis resulting in improved understanding of catalytic processes, reactions, and the interpretation of experimental data.

Georg Kresse, University of Vienna, Austria

New Developments of VASP

Georg Kresse, Professor for Computational Materials Physics, at the University of Vienna, the creator and architect of VASP, and the author of over 250 scientific publications. VASP is relied on by thousands of research groups and Professor Kresse's commitment to improving the accuracy and applicability of density functional theory is widely recognized by the scientific community.

James Kaduk, Poly Crystallography, Inc., Chicago, IL, USA

Crystal Structures of Large-Volume Pharmaceuticals

James Kaduk, president and principal scientist of Poly Crystallography, Inc. and an adjunct professor at the Illinois Institute of Technology. Professor Kaduk is an expert in the application of powder diffraction and computational methods in industrial and academic research with experience in the oil, gas, and chemicals industries.

Gregor Vonbun-Feldbauer, Hamburg University of Technology, Germany

Cluster Expansion - A Versatile Method in Computational Materials Science

Gus Hart, Brigham-Young University, Salt Lake City, Utah, USA

Machine Learning and Materials Discovery

Gus Hart is Professor of Physics and Astronomy at Brigham Young University, Utah. Professor Hart is a coauthor of the leading cluster expansion code, UNCLE, and an Associate Dean in the College of Physical and Mathematical Sciences. He has published widely in the systematic mathematical exploration of crystal structures, high throughput, and machine learning capabilities.

Clint Geller, Bettis Atomic Power Laboratory, Pittsburgh, PA, USA

Multi-scale Multi-physics Materials Modeling in an Engineering Context

Erik Mader, Electric Power Research Institute (EPRI), Palo Alto, CA, USA

EPRI’s Goal of Accelerating the Development of Advanced Reactor Materials using Modeling & Simulation

Leonardo Spanu, Shell Technology Center, Houston, TX, USA

Beyond the hype: what can simulations still teach us about catalysts

Leonardo Spanu, Senior Researcher R&D Chemistry, Shell Technology Center Houston. Leonardo has considerable experience in the application of a broad array of simulation methods to catalytic systems and is the author of more than 30 scientific papers on topics ranging from graphite layer interactions to hydrocarbon formation at geological temperatures and pressures.

Marianna Yiannourakou, Materials Design, Inc.

Predicting Properties of Fluids with MedeA

Adri van Duin, Pennsylvania State University, USA

Applications of the ReaxFF Force Field for Identifying Reactive Properties for Complex Materials and Interfaces

Adri van Duin, Professor in Mechanical and Nuclear Engineering, at Pennsylvania State University, the creator and main developer of the ReaxFF reactive forcefield method. Professor van Duin has authored over 350 ReaxFF-related publications and has distributed the ReaxFF code to over 1000 university and industrial research groups worldwide.

Berend Smit, École Polytechnique Fédérale de Lausanne (EPFL), Switzerland and University of California at Berkeley, CA, USA

The Nanoporous Materials Genome in Action

Berend Smit, Professor of Chemistry at École Polytechnique Fédérale de Lausanne (EPFL) and University of California at Berkeley. He is the author of the authoritative 'Understanding Molecular Simulations'. Professor Smit's highly cited research has spanned many applications including the identification of novel materials for carbon capture using computational screening.


General Agenda:

Tuesday 18 September: Hands-on MedeA Training followed by a Welcome Cocktail Reception Wednesday 19 September: Scientific Program & Customer Banquet Thursday 20 September: Scientific Program & Technical Discussion


Attend Hands-On Training:

Tuesday September 18, from 9am – 5pm, will be dedicated to Hands-on MedeA training. Computers will be provided for each participant with dedicated staff to guide you through modeling scenarios and provide one-on-one training. Lunch and refreshments will be provided, all participants receive a training manual, and exploration of participant materials and systems and research projects is encouraged. This training session provides an exclusive opportunity to learn about the MedeA simulation environment and to meet and interact with scientists and developers.


Network with Peers:

The Materials Design, Inc, User Group Meeting represents an occasion to meet colleagues and developers, present results, learn about developments in MedeA, and see the latest developments in computational material science and engineering. We invite you to join the Materials Design, Inc. User Group Meeting in Pittsburgh this September.


Present your Research:

The MedeA User Group Meeting is a unique forum for scientific and technical research communication and discussion. Contact Dr. Erich Wimmer ( if you are interested in presenting your work at this year’s UGM. Please provide a title for your proposed talk.



The Embassy Suites by Hilton in Downtown Pittsburgh: 535 Smithfield Street Pittsburgh, PA 15222 USA 1-800-EMBASSY 1-412-338-2200

Reserve your Embassy Suites Hotel Room!

Negotiated Room Rates:

We have negotiated a competitive room rate of $179.00 plus tax per night with the Embassy Suites by Hilton.


Conference Registration:

Register now to secure your accommodation at the 2018 Materials Design, Inc. UGM.

Registration for the UGM is free for all current Materials Design, Inc. customers. It includes: Training, Technical Sessions, Cocktail Reception, Daily Breaks, and the Customer Banquet. Breakfast and lunch are included September 18-20, 2018

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