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List of works by Huub J J van Dam

A Case for Soft Error Detection and Correction in Computational Chemistry.

scientific article published on 13 August 2013

A hemoprotein with a zinc-mirror heme site ties heme availability to carbon metabolism in cyanobacteria

scientific article published in 2024

Asynchronous Multi-Level Checkpointing: An Enabler of Reproducibility using Checkpoint History Analytics

scientific article published on 10 November 2023

Describing Excited State Relaxation and Localization in TiO2 Nanoparticles Using TD-DFT

scientific article published on 17 November 2014

Designing a Scalable Fault Tolerance Model for High Performance Computational Chemistry: A Case Study with Coupled Cluster Perturbative Triples

scientific article published on 8 December 2010

Implementation of the multireference Brillouin-Wigner and Mukherjee's coupled cluster methods with non-iterative triple excitations utilizing reference-level parallelism

scientific article published on 01 September 2012

Noniterative Multireference Coupled Cluster Methods on Heterogeneous CPU-GPU Systems.

scientific article published on 19 March 2013

Parallel Implementation of Multireference Coupled-Cluster Theories Based on the Reference-Level Parallelism

scientific article published in February 2012

Point defects in ZnO

article

SO2-binding properties of cationic η6,η1-NCN-pincer arene ruthenium platinum complexes: spectroscopic and theoretical studies

scientific article published on 04 February 2011

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

scientific article published on 23 November 2013

Starting SCF calculations by superposition of atomic densities

scientific article published on 01 June 2006

Structure, optical properties and defects in nitride (III-V) nanoscale cage clusters.

scientific article published on 27 February 2008

Universal state-selective corrections to multi-reference coupled-cluster theories with single and double excitations

scientific article published on 01 March 2012

Utilizing high performance computing for chemistry: parallel computational chemistry.

scientific article published on 08 June 2010

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