Wide range of electronic structure methods/codes, atomistic simulation methods, machine-learning methods, high performance and cloud computing
Theory, modeling, and simulation method development to study disordered/correlated materials
classical MD codes, LAMMPS, coarse-grained and atomistic modeling of soft matter
classical MD codes, LAMMPS, coarse-grained and atomistic modeling of soft matter
machine-learning packages, DFT-codes, high-performance and cloud computing
Quantum chemical and many-body perturbation studies of interface, reaction, and chirality
High performance computing, Nwchem, DFTB+, RMGDFT, Fortran, Python, C/C++ (CSED Staff matrixed to CNMS))
First principles electronic structure including DFT and many-body theory. Quantum Monte Carlo and QMCPACK. High performance computing. (CSED Staff matrixed to CNMS)
NTI cluster, LAMMPS
DFT-codes, wannier90, GW, Raman
quantum chemistry codes, RMG-DFT
Quantum many-body theory, (cluster) dynamical mean-field theory, random phase approximation, high-performance computing (CSED staff matrixed to CNMS)
classical MD codes, reactive FFs, machine-learning FF
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