- Nuclear & Particle Physics
- Isotope Research & Production
- RIKEN BNL Research Center
Hubertus van Dam
Hubertus van Dam joined Comscope in 2015 as an application architect. As a staff member of the Computational Science Initiative at the Brookhaven National Laboratory his research focuses on the design and implementation of parallel algorithms. In addition he has a strong background in developing and supporting packages for scientific user communities. Coming from a quantum chemistry background Hubertus van Dam is interested in seeing how the principles of quantum mechanics play out in describing strongly correlated materials.
For Comscope, he is integrating the various capabilities that Comsuite offers into end-to-end computational pipelines from the crystal structure to observable properties that can be compared against experiment.
- Simulating One-Photon Absorption and Resonance Raman Scattering
Spectra Using Analytical Excited State Energy Gradients within
Time-Dependent Density Functional Theory.
Daniel W. Silverstein, Niranjan Govind, Hubertus J. J. van Dam, and Lasse Jensen,
J. Chem. Theory Comput. 9 (12), pp 5490-5503 (2013)
- Parallel Implementation of Multireference Coupled-Cluster Theories
Based on the Reference-Level Parallelism.
Jiří Brabec, Jiří Pittner†, Hubertus J. J. van Dam, Edoardo Aprà, and Karol Kowalski,
J. Chem. Theory Comput. 8, pp 487–497 (2012)
- NWChem: scalable parallel computational chemistry.
H.J.J. van Dam, W.A. de Jong, E. Bylaska, N. Govind, K. Kowalski, T.P. Straatsma, and M. Valiev,
WIREs Comput Mol Sci 1, pp 888–894 (2011)
- Large scale electronic structure calculations in the study of
the condensed phase.
H.J.J. van Dam, M.F.Guest, P.Sherwood, J.M.H.Thomas, J.H. van Lenthe, J.N.J van Lingen, C.L.Bailey, and I.J.Bush,
J. Mol. Struct.: THEOCHEM 771, pp 33-41 (2006)