Hubertus J. J. van Dam

Statistics

Publications

Citations

6.8K

H-Index

Active since

1996

Affiliations

Pacific Northwest National Laboratory(Current)

Brookhaven National Laboratory

Battelle

Argonne National Laboratory

Environmental Molecular Sciences Laboratory

Hubertus J. J. van Dam is an author at Pacific Northwest National Laboratory specializing in natural sciences, chemistry, and computational chemistry.

ORCID

Publications per year

1996–2025

Publications

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations

Marat Valiev, Eric J. Bylaska, Niranjan Govind et al. · Computer Physics Communications · 2010 · 5.8K citations

Natural Sciences, Chemistry, High-performance Computing +12

High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor

Austin Clyde, Stephanie Galanie, Daniel W. Kneller et al. · Journal of Chemical Information and Modeling · 2021 · 111 citations · Full text

Life Sciences, Medicinal Chemistry, Molecular Biology +16

Utilizing high performance computing for chemistry: parallel computational chemistry

Wibe A. de Jong, Eric J. Bylaska, Niranjan Govind et al. · Physical Chemistry Chemical Physics · 2010 · 102 citations

Natural Sciences, Chemistry, High-performance Computing +17

Starting SCF calculations by superposition of atomic densities

Joop H. van Lenthe, R. Zwaans, Hubertus J. J. van Dam et al. · Journal of Computational Chemistry · 2006 · 102 citations · Full text

Natural Sciences, Chemistry, Physics +14

Simulating One-Photon Absorption and Resonance Raman Scattering Spectra Using Analytical Excited State Energy Gradients within Time-Dependent Density Functional Theory

D. Silverstein, Niranjan Govind, Hubertus J. J. van Dam et al. · Journal of Chemical Theory and Computation · 2013 · 56 citations

Natural Sciences, Chemistry, Physics +17

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