FOMMS 2012

FOMMS 2012: Foundations for Discovery and Data, July 22-26, 2012, The Resort at the Mountains, Mt. Hood, OR, USA


  • Edward Maginn (Notre Dame)


  • Ilja Siepmann (Minnesota)
  • Kristen Fichthorn (Penn State)

Scientific Advisory Committee:

  • Peter Cummings (Vanderbilt)
  • Joe Golab (INEOS)
  • Sharon Glotzer (Michigan)
  • Clare McCabe (Vanderbilt)
  • Jonathan Moore (Dow Chemical)

Conference Secretary:

  • Jonathan Moore (Dow Chemical)

Programming Committee:

  • Anne Chaka (NIST)
  • Hansong Cheng (Singapore)
  • Ioannis Economou (Abu Dhabi)
  • Daan Frenkel (Cambridge)
  • Shekhar Garde (Rensselaer Polytechnic)
  • Carol Hall (North Carolina State)
  • David Kofke (SUNY-Buffalo)
  • Kurt Kremer (Max Planck Institute)
  • Shinichiro Nakamura (Mitsubishi Chemical)
  • Matthew Neurock (U. Virginia)
  • A.Z. Panagiotopoulos (Princeton)
  • William Schneider (Notre Dame)
  • Mark Schure (Dow Chemical)
  • Bala Subramanian (JNCASR)
  • Doros Theodorou (NTU Athens)
  • Greg Voth (Chicago)

Topics of Special Interest:

  • Effective Simulation of Complex Molecules
  • Multi-resolution Simulations: QM/MM, MM/CG, and beyond
  • Integration of Molecular Modeling and Simulation with Product and Process Design
  • Energy and Environmental Applications
  • Pharmaceutical and Life Science Applications
  • Cyberinfrastructure and Future Trends

Invited Speakers:


  • Matthias Scheffler (Fritz Haber Institute, Germany)

Complex Fluids

  • Fumio Hirata (Institute for Molecular Science, Japan)
  • Juan de Pablo (University of Wisconsin, USA)
  • Pablo Debenedetti (Princeton University, USA)

Multi Resolution

  • Sharon Hammes Schiffer (Pennsylvania State University, USA)
  • Jhih Wei Chu (University of California, Berkeley, USA)

Products and Processes

  • Phil Westmoreland (North Carolina State University, USA)
  • Claire Adjiman (Imperial College, London UK)
  • Krzysztof Moorthi (Mitsui Chemicals, Japan)

Energy and Environment

  • David Sholl (Georgia Institute of Technology, USA)
  • Mark Asta (University of California, Berkeley, USA)
  • Bruce Garrett (Pacific Northwest National Laboratory, USA)

Life Sciences

  • Sarah Price (University College London, UK)
  • Joan Emma Shea (University of California, Santa Barbara, USA)


  • Bruce Murch (Procter and Gamble, USA)
  • Michael Greenfield (University of Rhode Island, USA)
  • Ed Seidel  (National Science Foundation, USA)


  • Keith Gubbins (North Carolina State University, USA)

FOMMS 2012 is the 5th international conference showcasing applications and theory of computational quantum chemistry, molecular science, and engineering simulation. It is motivated by the continual need for precise prediction and control of materials properties and the fundamental, molecular-level understanding of chemical processes that allow the efficient creation of new products to meet specific market demands. Theoretical and algorithmic advances and modern computing technology allow companies to capture value and truly sustainable, far-reaching competitive advantage.  The future for these methods is bright as they continue to prove their value to the chemical and chemical-related industries.  The conference will explore these issues in the same format as the four previous highly successful FOMMS meetings held in 2000, 2003, 2006, and 2009.

Poster: pdf