van Dam HJJ - Search Results

1

Balint-Kurti GG, Broer R, Budzelaar PHM, van Dam HJJ, Dijkstra F, Eshuis H, Groenenboom GC, Guest MF, Havenith RWA, Meijer AJHM, van Mourik T, Rashid Z. Balint-Kurti GG, et al. Among authors: van dam hjj. J Phys Chem A. 2022 Oct 20;126(41):7415-7417. doi: 10.1021/acs.jpca.2c06949. Epub 2022 Oct 10. J Phys Chem A. 2022. PMID: 36215137 No abstract available.

2

On the Efficient Evaluation of the Exchange Correlation Potential on Graphics Processing Unit Clusters.

Williams-Young DB, de Jong WA, van Dam HJJ, Yang C. Williams-Young DB, et al. Among authors: van dam hjj. Front Chem. 2020 Dec 10;8:581058. doi: 10.3389/fchem.2020.581058. eCollection 2020. Front Chem. 2020. PMID: 33363105 Free PMC article.

3

From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape.

Kowalski K, Bair R, Bauman NP, Boschen JS, Bylaska EJ, Daily J, de Jong WA, Dunning T Jr, Govind N, Harrison RJ, Keçeli M, Keipert K, Krishnamoorthy S, Kumar S, Mutlu E, Palmer B, Panyala A, Peng B, Richard RM, Straatsma TP, Sushko P, Valeev EF, Valiev M, van Dam HJJ, Waldrop JM, Williams-Young DB, Yang C, Zalewski M, Windus TL. Kowalski K, et al. Among authors: van dam hjj. Chem Rev. 2021 Apr 28;121(8):4962-4998. doi: 10.1021/acs.chemrev.0c00998. Epub 2021 Mar 31. Chem Rev. 2021. PMID: 33788546

4

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

van Dam HJ, Vishnu A, de Jong WA. van Dam HJ, et al. J Chem Theory Comput. 2013 Sep 10;9(9):3995-4005. doi: 10.1021/ct400489c. Epub 2013 Aug 13. J Chem Theory Comput. 2013. PMID: 26592395

5

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

van Dam HJ, Vishnu A, de Jong WA. van Dam HJ, et al. J Chem Theory Comput. 2011 Jan 11;7(1):66-75. doi: 10.1021/ct100439u. Epub 2010 Dec 8. J Chem Theory Comput. 2011. PMID: 26606219

6

Utilizing high performance computing for chemistry: parallel computational chemistry.

de Jong WA, Bylaska E, Govind N, Janssen CL, Kowalski K, Müller T, Nielsen IM, van Dam HJ, Veryazov V, Lindh R. de Jong WA, et al. Phys Chem Chem Phys. 2010 Jul 14;12(26):6896-920. doi: 10.1039/c002859b. Epub 2010 Jun 8. Phys Chem Chem Phys. 2010. PMID: 20532308

7

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

Brabec J, van Dam HJ, Pittner J, Kowalski K. Brabec J, et al. J Chem Phys. 2012 Mar 28;136(12):124102. doi: 10.1063/1.3692969. J Chem Phys. 2012. PMID: 22462830

8

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

Bhaskaran-Nair K, Brabec J, Aprà E, van Dam HJ, Pittner J, Kowalski K. Bhaskaran-Nair K, et al. J Chem Phys. 2012 Sep 7;137(9):094112. doi: 10.1063/1.4747698. J Chem Phys. 2012. PMID: 22957560

9

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

Silverstein DW, Govind N, van Dam HJ, Jensen L. Silverstein DW, et al. J Chem Theory Comput. 2013 Dec 10;9(12):5490-503. doi: 10.1021/ct4007772. Epub 2013 Nov 23. J Chem Theory Comput. 2013. PMID: 26592284

10

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

Brabec J, Pittner J, van Dam HJ, Aprà E, Kowalski K. Brabec J, et al. J Chem Theory Comput. 2012 Feb 14;8(2):487-97. doi: 10.1021/ct200809m. Epub 2012 Feb 1. J Chem Theory Comput. 2012. PMID: 26596599

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