about
Utilizing high performance computing for chemistry: parallel computational chemistry.Designing a Scalable Fault Tolerance Model for High Performance Computational Chemistry: A Case Study with Coupled Cluster Perturbative Triples.A Case for Soft Error Detection and Correction in Computational Chemistry.Simulating One-Photon Absorption and Resonance Raman Scattering Spectra Using Analytical Excited State Energy Gradients within Time-Dependent Density Functional Theory.Noniterative Multireference Coupled Cluster Methods on Heterogeneous CPU-GPU Systems.Structure, optical properties and defects in nitride (III-V) nanoscale cage clusters.Parallel Implementation of Multireference Coupled-Cluster Theories Based on the Reference-Level Parallelism.Point defects in ZnOStarting SCF calculations by superposition of atomic densitiesSO2-binding properties of cationic η6,η1-NCN-pincer arene ruthenium platinum complexes: spectroscopic and theoretical studiesUniversal state-selective corrections to multi-reference coupled-cluster theories with single and double excitationsImplementation of the multireference Brillouin-Wigner and Mukherjee's coupled cluster methods with non-iterative triple excitations utilizing reference-level parallelismDescribing Excited State Relaxation and Localization in TiO2 Nanoparticles Using TD-DFT
P50
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P50
description
investigador
@es
researcher
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wetenschapper
@nl
name
Huub J J van Dam
@en
Huub J J van Dam
@nl
type
label
Huub J J van Dam
@en
Huub J J van Dam
@nl
prefLabel
Huub J J van Dam
@en
Huub J J van Dam
@nl
P2456
P31
P496
0000-0002-0876-3294