Molecular Monte Carlo Mavens

Last Update: January 14, 2002.

The groups listed below use Molecular Monte Carlo methods (as well as other techniques) to carry out their research. The list includes chemists, physicists, biologists, engineers...you name it.

Note: A "" indicates the current Maven of the Month. A "" indicates a former Maven of the Month. I pick the Maven of the Month from this list, using a good pseudorandom number generator. Note that (1) I am always adding people to the list, (2) each maven is generated "Lotto-Style" (i.e. mavens who are selected once are never selected again), (3) if a group has absolutely no interesting graphics on their web page, I pick another Maven, and (4) I never pick my own page.

CMC="classical" Monte Carlo, PMC="path-integral" Monte Carlo, QMC="quantum" Monte Carlo, VMC="volumetric" Monte Carlo, and SMC="simulation" Monte Carlo.

Anderson group at Pennsylvania State Univ. - QMC; molecules and transition states.
Auerbach group at Univ. of Mass.-Amherst - SMC and CMC; porous materials, solids, fluids and interfaces.
Beck group at Univ. of Cincinnati - CMC and PMC; solid and liquid interfaces, novel density functional methods.
• Benham group at Mt. Sinai School of Medicine - CMC; biomolecules (esp. nucleic acids).
  Berne group at Columbia Univ. - PMC and CMC; liquids, clusters, surfaces and solutions.
  Beveridge group at Wesleyan Univ. - CMC; nucleic acids, proteins and liquids.
  Braun group at Univ. of Texas-Galveston- CMC; tertiary structures of proteins and other polypeptides
  Cagin group at California Inst. of Tech. - CMC; metals and alloys, polymers, surfaces, nanotechnology.
  Carter group at Univ. of California- Los Angeles - PMC and SMC; molecules, clusters, solids and surfaces (also electronic structure theory).
  Cavendish Laboratory's Theory of Condensed Matter Group at Cambridge Univ. - QMC; solids.
  Center for Polymer Studies at Boston Univ. - CMC ; polymers.
  Chandler group at Univ. of California-Berkeley - PMC and CMC; liquids, clusters, polymers, biomolecules, oil-water mixtures, solids, membranes...you name it.
  Clancy group at Cornell Univ. - SMC; novel electronic materials, natural gas hydrates, peptides.
  Condensed Matter Physics Group at NCSA and Univ. of Illinois - PMC and QMC; atoms, molecules, liquids, solids and surface adsorbates. Random number generators. Among others, David Ceperley's part of this group.
  Condensed Matter Theory Group at Univ. of Mainz - CMC and PMC; solids, liquids, critical phenomena, surface adsorbates, alloys, polymers... this is where the legendary Kurt Binder dwells.
  Doll group at Brown Univ.- PMC, CMC and QMC; clusters, solids, surfaces and surface adsorbates.
  Ferguson group at Univ. of Minnesota - CMC; biomolecules and liquids.
• Fransceschetti group at Univ. of Memphis-CMC; polymer folding, diffusion, DNA computing, artificial intelligence, electrochemistry.
  Freeman group at Univ. of Rhode Island - PMC, CMC and QMC; clusters, solids, surfaces and surface adsorbates
  Garrison group at Pennsylvania State Univ. - SMC; self-assembled monolayers, single-crystal bombardment, diamond film growth...surface phenomena.
  Gelb group at Florida State Univ. - CMC; nanoporous materials, adsorbed fluids.
• Green group at City College of New York - CMC; water in pores, ion channel gating, fluorescence energy transfer.
• Hase group at Wayne State Univ.- SMC; chemical reaction dynamics, intramolecular motions and energy transfer, liquid/surface interfaces, sliding surfaces.
  Hinde group at Univ. of Tennesee-Knoxville- CMC; ion-molecule reactions, clusters and polymers.
• Ishikawa group at Univ. of Puerto Rico - CMC; relativistic many-body theory; ab initio Monte Carlo and molecular dynamics simulation of many-body systems.
• Jameson group at Univ. of Illinois-Chicago - CMC; microporous solids (such as zeolites).
• Johnston group at Univ. of Texas-Austin - CMC; supercritical fluids.
  Jordan group at Univ. of Pittsburgh - CMC; water clusters and water-benzene clusters
  Jorgensen group at Yale Univ. - CMC; liquids and organic reactions in solution
  Knapp group at Freie Universitat Berlin - SMC; proteins, photosynthetic reaction centers, pharmacophores, polypeptides.
  Laboratory for Computer Design of Materials at George Mason Univ. - CMC; clusters, nanoparticles, colloids, precipitates, gels, aerogels.
  Le Roy group at Univ. of Waterloo - CMC; properties and dynamics of small molecules and molecular clusters.
  Materials Science Group at SCRI - Florida State Univ.; materials, interfaces, magnetic properties of glasses.
  Lester group at Univ. of California-Berkeley - QMC; electronic and magnetic properties of small molecules, atom-diatom reactions, and clusters.
  Mansoori group at Univ. of Illinois-Chicago-CMC; applications in chemical engineering.
• Mezei group at Mt. Sinai Sch. of Medicine - CMC; biophysics, lipids.
• Moskowitz group at New York Univ. - QMC and CMC; van der Waals clusters and DNA.
  Muller group at Cal Tech's Materials Materials and Process Simulation Center - QMC; CVD film growth, etching, hydrogen storage, reaction networks, electronic structure theory and method development.
• Nightingale group at Univ. of Rhode Island - QMC and CMC; phase transitions and critical phenomena, surface dynamics, and van der Waals clusters.
• Neuhauser group at Univ. of California - Los Angeles - QMC; electronic structure theory of molecules.
• Proykova group at Sofia University - CMC and SMC; atomic and molecular clusters and nanosystems; pionic transitions.
  Reinhardt group at Univ. of Washington - QMC and CMC; proteins, fluids, solvated electrons, nanoelectrodes, and thin films.
  Rothstein group at Brock Univ. - QMC; electronic and magnetic properties of metal hydrides
  Scalletar group at Univ. of California-Davis - QMC; magnets, superconductors, and insulators.
  Scott group at Oklahoma State Univ. - CMC; simulations of lipid bilayers (biological membranes and models thereof) in water.
  Shakhnovich group at Harvard Univ. - CMC; proteins and other polymers.
  Siepmann group at Univ. of Minnesota-Twin Cities - CMC; catalysts, fluids, monolayers, polymers, proteins.
  Skolnick group at the Danforth Plant Science Center - CMC; computational biology.
• Snurr group at Northwestern Univ. - CMC; microporous materials (zeolites), adsorption and diffusion, catalysis...
  Still group at Columbia Univ. - CMC; organic and biological compounds.
• Topper group at Cooper Union - CMC, PMC and SMC; floppy molecules, clusters, solid-solid phase transitions, and DNA-carcinogen complexes.
  Truhlar group at Univ. of Minnesota-Twin Cities - PMC and SMC; atmospheric and combustion chemical reaction dynamics, reaction rate theory, scattering theory, potential energy function design, solvation.
  Wales group at Cambridge Univ. - CMC and QMC; atomic and molecular clusters; proteins and glasses.
  Whaley group at Univ. of California-Berkeley - QMC; Van der Waals clusters, semiconductors and high density quantum materials.
  Zeng group at Univ. of Nebraska-Lincoln - CMC; liquids and interfaces.

Back to The Molecular Monte Carlo Home Page.