• Many-Body Computational Methods for Quantum Systems


• Quantum Monte Carlo for Electronic Structure
  
• Reviews on quantum Monte Carlo
and an illustration


• Analysis and Discovery of New Materials: Clusters, Molecules, Solids
  

Recent and current projects:


• Fermion Nodes

Node of octet S(f7) state

• Electronic structure and excitations in Si nanoncrystals
• Science Daily press release by our collaboration (Jan '02)
• UPI press release by our collaboration (Jan '02)


Valence electron density of Si29H24 (Image: Z. Helms)

• Ferroelectric and magnetic solid materials

Hexaborides: CaB6

• Molecular magnets

TM@Si12 cluster

• Electronic structure of biomolecules






• Computational and Simulation Methods in Geosciences and Environmental Modeling


• multi-D scattered data interpolation, path sampling methods for water erosion, etc, see here

Research group:
Postdoctoral Research Associates:

• Dr. Jindrich Kolorenc

• Lucas Wagner, lkwagner (at) unity.ncsu.edu
• Michal Bajdich,

• David Sulock, dlsulock@unity.ncsu.edu

Examples of past projects:

• High pressure nitrogen solids
• C₂₀ cluster isomers
• Si clusters - small sizes
• Si clusters - intermediate sizes
• Si clusters - elongated
• "Difficult" molecular reactions
• Carbon rings
• Excitations in molecules: QMC and GW
• Protonated hydrogen clusters