Boston University's Center for Computational Science supports collaborations across many different departments and colleges by connecting computational scientists from different areas, enabling the cross fertilization of new computational ideas and methodologies, and serving as a conduit for collaborations between experimental researchers who are synthesizing, characterizing and collecting real world data and computational researchers with expertise in model building, simulation and analysis. more ...

Under Our Umbrella

Here's what's going on at the BU-CCS

Learn more about what we do
  • CCS Seminar – Professor Gerhard Stock – May 4, 2016

    CCS Seminar Wednesday – May 4, 2016 12:00 noon (with lunch) Physics Research Building, Room 595 3 Cummington Mall Professor Gerhard Stock Biomolecular Dynamics, Institute of Physics Albert Ludwigs University Freiburg, Germany Energy and Signal Flow in Biomolecules In biomolecules, the transport of heat and vibrational energy occurs within (tens of) picoseconds. The propagation of […]

  • Research

    The University’s high-performance computing facilities currently support about 180 projects involving over 600 scientists and spanning numerous disciplines.

  • Seminars

    Throughout the academic year, members of the Center for Computational Science team host seminars in the Physics Research Building. We welcome all who share an interest in our work.

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  • Open invitation to join the Computational Molecular Science group

    If you are looking for new ways to expand your research horizons, the Computational Molecular Science group invites you to visit our faculty webpages, check out some of our recent research papers and contact us with your questions and interest . We look forward to hearing from you!

  • Wednesday @ Hariri – Sam Ling, Institute Junior Fellow

    Sam Ling, Institute Junior Fellow, Gives April 20, 2016 Meet Our Fellows Talk in Institute News, Wed@Hariri Wednesday, April 20, 2016 3:00 PM – 4:00 PM Refreshments to follow Hariri Institute for Computing 111 Cummington Mall, Room 180 The Formation & Flexibility of Visual Perception  With an introduction given by Chantal Stern, Professor, Psychological & […]

  • Hariri Institute to host Azure for Research at BU, 1-Day Class for Researchers and Data Scientists

    Friday, March 25, 2016 8:30 am – 5:00 pm Boston University 808 Commonwealth Ave, Room FLR 134 Boston, Massachusetts 02215 Boston University is pleased to host an Azure for Researchers hands on training, Friday, March 25th 2016 in partnership with Microsoft & Wintellect. This free, 1-day class will be offered through two consecutive sessions and is open to […]

  • DOE Computational Science Graduate Fellowship Opportunity

    The Krell Institute will soon accept applications for the prestigious Department of Energy Computational Science Graduate Fellowship (DOE CSGF). This program provides up to four years of financial support for students pursuing doctoral degrees in fields of study that use high-performance computing to solve complex problems in science and engineering. Materials will be due January […]

Computational Molecular Science

For many applications in nano science, continuum descriptions fail to capture the important processes underlying function as molecular level detail is often crucial. From electronic rearrangements during chemical bond breaking and formation underlying catalyst function or enzyme activity, to photo excited dynamics and nonadiabatic relaxation at the heart of photochemical processes important for solar energy capture and transformation, and strongly correlated electronic motions that determine exotic electronic and magnetic properties of new low dimensional materials, advanced molecular simulation methodologies offer powerful predictive capability. (more…)