Jörg Kussmann

	Jörg Kussmann, Dr. rer. nat.
	Room:	B5.005
	Phone:	+49 89 2180-72440
	E-Mail:	joerg.kussmanncup.uni-muenchen.de

Research Interests

Development of linear-scaling ab initio methods
Development of quantum chemical methods for massively parallel architectures
- Quantum Chemistry @ GPUs using CUDA and OpenCL
- Strong-scaling parallelization using MPI
Molecular properties
(Non-)Adiabatic molecular dynamics

Recent developments focusing on parallel architectures are implemented in the FermiONs++ program package, e.g.:

J. Kussmann and C. Ochsenfeld,
"Pre-Selective Screening for Matrix Elements in Linear-Scaling Exact Exchange Calculations",
J. Chem. Phys. 138, 134114 (2013).
J. Kussmann and C. Ochsenfeld
"Pre-Selective Screening for Linear-Scaling Exact Exchange Gradient Calculations for Graphics Processing Units and General Strong-Scaling Massively-Parallel Calculations",
J. Chem. Theory Comput. 11, 918 (2015).
J. Kussmann, C. Ochsenfeld,
"Employing OpenCL to Accelerate Ab Initio Calculations on Graphics Processing Units",
J. Chem. Theory Comput., 13, 2712 (2017).
J. Kussmann, C. Ochsenfeld,
"Hybrid CPU/GPU Integral Engine for Strong-Scaling Ab Initio Methods",
J. Chem. Theory Comput., 13, 3153 (2017).

Full list of publications @ GoogleScholar