Welcome to the Materials Simulations web site!

Welcome to our home page. In this page you will find news and events related to Materials Simulation at Penn State. Feel free to use the menu on the left to explore our facilities.

News and Events

Workshops coming up

Materials Studio Workshops  (1st Series):

Workshop I:  Introduction to Materials Studio                                                    (Nov    8/12)
Workshop II: Density Functional Theory modeling using Materials Studio    (Nov  15/12)
Workshop III: Infrared and Raman modeling with Materials Studio               (Dec    6/12)
Workshop IV: Modeling of Scanning Tunneling Microscopy profiles               (Jan   10/13)
Workshop V: Materials Studio for Classical Mechanics based modeling       (Jan   17/13)

The first workshop will be a prerequisite for any of the subsequent workshops in this series.
The second workshop is a prerequisite to take workshops IV and V.

Density Functional Theory:Quantum Espresso and VASP Workshops  (2ndSeries):

Workshop I: Density Functional Theory and its plane-wave implementation         (Jan  31/13)
Workshop II: Solution of the Kohn-Sham equations: the self-consistent cycle     (Feb   7/13)
Workshop III: Energy Bands and Density of States                                                   (Feb 14/13)
Workshop IV: Geometry Optimization                                                                          (Feb  21/13)
Workshop V:  Molecular Dynamics                                                                                 (Feb  28/13)

The workshops in this series are highly inter-dependent.

You can register at these links for each series:

For the 1st Series please register at: https://msc.doodle.com/hacubsnri39cfmtb
For the 2nd Series please register at: https://msc.doodle.com/qdgndtsnz39ttqse

The workshops are provided at no cost but sitting is limited to 15.

For more information click here.
For questions regarding the registration process please contact Donna Lucas.
For all the other questions you may have related to the workshops please  contact Lazaro Calderin.

Recent Past News and Events

Quantum Espresso 2012 Workshop

Coming up .. On June/2012  .. a workshop on the Quantum Espresso suite given by developers of the codes themselves!

Minicourse on Density Functional Theory: VASP and Quantum Espresso (March-April 2012)

A Density Functional Theory review and hands-on training on the VASP and Quantum Espresso codes.