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The Journal of Chemical Physics
|
April 3, 2012
Universal state-selective corrections to multi-reference coupled-cluster theories with single and double excitations
Jiří Brabec, Hubertus J J van Dam, Jiří Pittner, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
A Case for Soft Error Detection and Correction in Computational Chemistry
Hubertus J J van Dam, Abhinav Vishnu, Wibe A de Jong
Journal of Chemical Theory and Computation
|
November 26, 2015
Designing a Scalable Fault Tolerance Model for High Performance Computational Chemistry: A Case Study with Coupled Cluster Perturbative Triples
Hubertus J J van Dam, Abhinav Vishnu, Wibe A de Jong
Journal of Chemical Theory and Computation
|
November 24, 2015
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, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Parallel Implementation of Multireference Coupled-Cluster Theories Based on the Reference-Level Parallelism
Jiří Brabec, Jiří Pittner, Hubertus J J van Dam, et al.
Frontiers in Chemistry
|
December 28, 2020
On the Efficient Evaluation of the Exchange Correlation Potential on Graphics Processing Unit Clusters
David B Williams-Young, Wibe A de Jong, Hubertus J J van Dam, et al.
The Journal of Chemical Physics
|
September 11, 2012
Implementation of the multireference Brillouin-Wigner and Mukherjee's coupled cluster methods with non-iterative triple excitations utilizing reference-level parallelism
Kiran Bhaskaran-Nair, Jiří Brabec, Edoardo Aprà, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Noniterative Multireference Coupled Cluster Methods on Heterogeneous CPU-GPU Systems
Kiran Bhaskaran-Nair, Wenjing Ma, Sriram Krishnamoorthy, et al.
Dalton Transactions (Cambridge, England : 2003)
|
February 5, 2011
SO2-binding properties of cationic η6,η1-NCN-pincer arene ruthenium platinum complexes: spectroscopic and theoretical studies
Sylvestre Bonnet, Joop H van Lenthe, Hubertus J J van Dam, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Describing Excited State Relaxation and Localization in TiO2 Nanoparticles Using TD-DFT
Enrico Berardo, Han-Shi Hu, Hubertus J J van Dam, et al.
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of 2
Search research articles
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Showing results (1-10 of 16) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
April 3, 2012
Universal state-selective corrections to multi-reference coupled-cluster theories with single and double excitations
Jiří Brabec, Hubertus J J van Dam, Jiří Pittner, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
A Case for Soft Error Detection and Correction in Computational Chemistry
Hubertus J J van Dam, Abhinav Vishnu, Wibe A de Jong
Journal of Chemical Theory and Computation
|
November 26, 2015
Designing a Scalable Fault Tolerance Model for High Performance Computational Chemistry: A Case Study with Coupled Cluster Perturbative Triples
Hubertus J J van Dam, Abhinav Vishnu, Wibe A de Jong
Journal of Chemical Theory and Computation
|
November 24, 2015
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, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Parallel Implementation of Multireference Coupled-Cluster Theories Based on the Reference-Level Parallelism
Jiří Brabec, Jiří Pittner, Hubertus J J van Dam, et al.
Frontiers in Chemistry
|
December 28, 2020
On the Efficient Evaluation of the Exchange Correlation Potential on Graphics Processing Unit Clusters
David B Williams-Young, Wibe A de Jong, Hubertus J J van Dam, et al.
The Journal of Chemical Physics
|
September 11, 2012
Implementation of the multireference Brillouin-Wigner and Mukherjee's coupled cluster methods with non-iterative triple excitations utilizing reference-level parallelism
Kiran Bhaskaran-Nair, Jiří Brabec, Edoardo Aprà, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Noniterative Multireference Coupled Cluster Methods on Heterogeneous CPU-GPU Systems
Kiran Bhaskaran-Nair, Wenjing Ma, Sriram Krishnamoorthy, et al.
Dalton Transactions (Cambridge, England : 2003)
|
February 5, 2011
SO2-binding properties of cationic η6,η1-NCN-pincer arene ruthenium platinum complexes: spectroscopic and theoretical studies
Sylvestre Bonnet, Joop H van Lenthe, Hubertus J J van Dam, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Describing Excited State Relaxation and Localization in TiO2 Nanoparticles Using TD-DFT
Enrico Berardo, Han-Shi Hu, Hubertus J J van Dam, et al.
Page
of 2