CPMD 2016

Car-Parrinello Molecular Dynamics
in 2016

May 18-20, 2016
Institute for Molecular Engineering
The University of Chicago


Ab initio Molecular Dynamics Simulations:
State-of-the-Art and Milestones for the Future

Ab initio or Car-Parrinello Molecular Dynamics (CPMD) has become a widespread tool in atomistic simulations of materials and molecular systems in a variety of fields, encompassing physics, chemistry and materials science. The CPMD2016 workshop will bring together developers and practitioners in the field of ab initio MD, to discuss state-of-the-art methodological developments as well as applications, and to brainstorm about future milestones. The meeting will start on Wednesday morning, May 18th and end on Friday early afternoon, May 20th, with the daily agenda featuring two sessions including presentations followed by ample periods of general discussion.

Main Topics

  • Latest AIMD developments, encompassing electronic structure and sampling advances
  • AIMD applications in physics, chemistry and materials science
  • Large scale simulations on high performance architectures
  • Local Scientific Organizing Committee

  • Giulia Galli (UChicago & ANL)
  • Greg Voth (UChicago)
  • Juan de Pablo (UChicago & ANL)
  • Maria Chan (ANL)
  • International Scientific Organizing Committee

  • Roberto Car (Princeton, US)
  • Paolo Carloni (Juelich, Germany)
  • Francois Gygi (UCD, US)
  • Ikutaro Hamada (Tsukuba, Japan)
  • Barbara Kirchner (Leipzig, Germany)
  • Michele Parrinello (ETHZ & USI, Switzerland)
  • Carme Rovira (Barcelona, Spain)
  • Michiel Sprik (Cambridge, UK)
  • Mark Tuckermann (NYU, US)
  • Enge Wang (Beijing, China)
  • The organizers encourage those from groups underrepresented in science and engineering to attend and have funding earmarked for members of these groups.

    List of Invited Speakers

  • Alessandro Curioni, IBM, Zurich, Switzerland
  • Roger Rousseau, PNNL, USA
  • Sheng Meng, CAS, Beijing, China
  • Yoshitaka Tateyama, Tsukuba, Japan
  • Annabella Selloni, Princeton University, USA
  • Robert DiStasio, Cornell University, USA
  • Francesco Paesani, UCSD, USA
  • Glenn Martyna, IBM, Yorktown Heights, USA
  • Xinzheng Li, Peking University, China
  • T. Anh Pham, LLNL, USA
  • Alex Gaiduk, UChicago, USA
  • Albert Ardevol, MPIBP, Germany
  • Ursula Roethlisberger, EPFL, Switzerland
  • Rodolphe Vuilleumier, ENS, Paris, France
  • Anders Niklasson, LANL, USA
  • Angelos Michaelides UCL, UK
  • Joost VandeVondele, ETHZ, Switzerland
  • Bryan K. Clark, UIUC, USA
  • Ali Alavi, MPI FKF, Stuttgart, Germany
  • Sandro Sorella, SISSA, Italy
  • Michele Ceriotti, EPFL, Switzerland
  • Greg Voth, UChicago, USA
  • Pratyush Tiwary, Columbia University, USA
  • Davide Donadio, UCD, USA
  • Stefano Baroni, SISSA, Italy
  • Thomas Markland, Stanford, USA
  • Registration

    Please download the registration form and fill it out using Adobe Acrobat Reader. The submit button is located on the top right corner of the form. We encourage submission of poster abstracts, especially from students and postdocs.

    The Journal of Chemical Theory and Computation is generously sponsoring poster awards. Abstracts may be entered in the registration form.

    We encourage submission of poster abstracts, especially from students and postdocs. The Journal of Chemical Theory and Computation is generously sponsoring poster awards. Abstracts may be entered in the registration form.

    Please email your completed registration form to Janet Boland at jboland@uchicago.edu by Thursday, February 18, 2016.
    Registration extended to April 15, 2016


    The registration fee is 200 USD, please complete the fields below to proceed to the payment processing page. Registration fee is waived for all invited speakers and members of the International Scientific Advisory Board.

    First name: Last name: email address:

    It is not permitted to process the same credit card twice in a 10-minute window. This is a security measure.
    Conference Registration is non-refundable.


    The conference will be hosted by the University of Chicago's Institute for Molecular Engineering at:
    Eckhardt Research Center, 5640 South Ellis Avenue, Chicago, IL 60637


    Reserve your hotel accommodations by April 4, 2016 for the conference rate:

  • Intercontinental Chicago Magnificent Mile, preferred hotel located in the heart of Chicago’s downtown, rate of $194 per night. Reserve online at the Intercontinental Chicago Magnificent Mile Hotel or by calling the 24 hour reservation line at +1(800)628-2112 and referencing the CPMD 2016 Conference. Shuttle service will be provided by the conference.

  • LaQuinta Inn & Suites Chicago Lake Shore: located in Hyde Park, rate of $149 per night. Please call the hotel directly at +1(773)324-3000 and reference CPMD 2016 Conference Block.
  • Agenda

    Download the Program of the workshop.


    Look at the Pictures of the workshop.