Multiscale Modeling and Simulation

Materials and Process Simulation Center (MSC)

California Institute of Technology











Andres Jaramillo-Botero - Director, Multiscale Science and Simulation (MSC)

William A. Goddard III - Director, Materials and Process Simulation Center, MSC

Local and external Co-PIs and Collaborators

bulletAdri van Duin (Force Field Technologies, now at Penn State University)
bulletBoris Merinov (Director, Fuel cells and batteries)
bulletJulius Su (eFF electronic force field)
bulletMario Blanco (former MSC member)
bulletMarkus Buehler (now at MIT)
bullet Ravi Abrol (Biotechnology)
bullet Sergey Zybin (Energetic Materials)
bullet Seung Soon Jang (now at Gatech)
bulletYouyong Li (Functional Materials and Biotech, now at Institute of Functional Nano and Soft Materials (Soochow University), China)
bulletYi Liu (CMDF and Energetic Materials, now in China)
bulletIbo Mathews (Lawrence Livermore National Laboratory)
bulletThomas Soules (Lawrence Livermore National Laboratory)
bulletLinbing Wang (Virginia Tech)
bulletSteve Plimpton (Sandia National Laboratory)
bulletAidan Thompson (Sandia National Laboratory)
bulletLuther Beegle (Jet Propulsion Laboratory)
bulletRobert Hodyss (Jet Propulsion Laboratory)

Postdocs and Students

bulletJason Crowley (Ph.D. student in Chemistry, Caltech).  Working on colloidal chemistry (Dow Chemical project)
bulletDavid Lehtihet (Ph.D. student in Chemistry, Caltech).  Working on colloidal chemistry (DOW chemical project)
bulletJonas Karlsen (Graduate exchange student, Caltech).  Worked on Coarse-grain molecular modeling
bulletVaclav Cvicek (Ph.D. graduate student in Physics, Caltech).  Worked on DNA sequencing devices (Samsung project)
bulletMu-Jeng Cheng (former Ph.D. graduate student in Chemistry, Caltech). Worked on reaxFF (Cassini project)
bulletQi An (former Ph.D. graduate student in Materials Science, now Postdoc, Caltech).  Working on reaxFF and eFF development (PSAAP project).
bulletHai Xiao (Ph.D. graduate student in Chemistry, Caltech). Working on eFF development (PSAAP project).
bulletPatrick Theofanis (former Ph.D. graduate student in Chemistry, now Postdoc, Caltech).  Working on eFF development and application (PSAAP project)
bulletHyungjun Kim (former Ph.D. graduate student in Chemistry, Caltech - now at KAIST in Korea).  Worked on eFF applications and others.
bulletWilliam C. Ford (former Ph.D. graduate student  in Computation and Neural Systems, Caltech).  Worked on global optimization schemes for forcefield parameterization.
bulletJoy Lin (SURF student, ACM and Chemistry, Caltech).  Worked on systematic Hessian-based clustering schemes for coarse-grain MD.
bulletDa Hye Song (SURF student, Caltech).  Worked on development of pseudo-potentials for eFF.
bulletVictor Rivera and Jorge Victoria (Undergraduate CS students from Javeriana University from Cali-Colombia).  Worked on Visual interface prototype for CMDF.


bulletAlessandro Fortunelli (Visiting Scientist, CNR, Italy).  Platinum alloys and molecular conformational optimization methods (2011-).
bulletJohn Michael Espinosa (Visiting summer intern, Master's student from the Universidad del Valle, Cali, Colombia).  Training on coarse-grain molecular dynamics methods (2011).
bulletGarrett McGuinness (Visiting Faculty, School of Mechanical and Manufacturing Engineering, Dublin City University, Dublin, Ireland).  Worked on polymer Hydrogels atomistic to continuum-level modeling coupling (2008-2009).
bulletAlessandro Barbato (Visiting PhD student from Politecnico di Milano, Milan, Italy).  Worked on H diffusion on Si (2007-2008).

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 (C) Materials and Process Simulation Center, Caltech, 2007.
Contact: Andres Jaramillo-Botero [ajaramil at].
Last updated: 04/04/12.