Panchapakesan Ganesh
Group Leader - Wide range of electronic structure methods/codes, atomistic simulation methods, machine-learning methods, high performance and cloud computing
Tom Berlijin
Theory, modeling, and simulation method development to study disordered/correlated materials
Jan-Michael Carrillo
classical MD codes, LAMMPS, coarse-grained and atomistic modeling of soft matter
Peter Doak
classical MD codes, LAMMPS, coarse-grained and atomistic modeling of soft matter
CSED
Addis Fuhr
machine-learning packages, DFT-codes, high-performance and cloud computing
Jingsong Huang
Quantum chemical and many-body perturbation studies of interface, reaction, and chirality
Jacek Jakowski
High performance computing, Nwchem, DFTB+, RMGDFT, Fortran, Python, C/C++
CSED
Paul Kent
First principles electronic structure including DFT and many-body theory. Quantum Monte Carlo and QMCPACK. High performance computing.
CSED
Rajeev Kumar
NTI cluster, LAMMPS, SCFT
Liangbo Liang
DFT-codes, wannier90, GW, Raman
Thomas Maier
Quantum many-body theory, (cluster) dynamical mean-field theory, random phase approximation, high-performance computing
CSED
Eva Zarkadoula
classical MD codes, reactive FFs, machine-learning FF
Brianna Holder
Group Admin