10.1145/1654059.1654127
Crossref proceedings-article
ACM
Proceedings of the Conference on High Performance Computing Networking, Storage and Analysis (320)
Bibliography

Aprà, E., Rendell, A. P., Harrison, R. J., Tipparaju, V., deJong, W. A., & Xantheas, S. S. (2009). Liquid water. Proceedings of the Conference on High Performance Computing Networking, Storage and Analysis, 1–7.

Authors 6
  1. Edoardo Aprà (first)
  2. Alistair P. Rendell (additional)
  3. Robert J. Harrison (additional)
  4. Vinod Tipparaju (additional)
  5. Wibe A. deJong (additional)
  6. Sotiris S. Xantheas (additional)
References 46 Referenced 43
  1. J. Bentz , R. M. Olson , M. S. Gordon , M. W. Schmidt , and R. A. Kendall . Coupled cluster algorithms for networks of shared memory parallel processors. Computer Physics Communications, 176(9--10):589--600 , 2007 . J. Bentz, R. M. Olson, M. S. Gordon, M. W. Schmidt, and R. A. Kendall. Coupled cluster algorithms for networks of shared memory parallel processors. Computer Physics Communications, 176(9--10):589--600, 2007. / Coupled cluster algorithms for networks of shared memory parallel processors. Computer Physics Communications, 176(9--10):589--600 by Bentz J. (2007)
  2. R. Bukowski , K. Szalewicz , G. C. Groenenboom , and A. van der Avoird . Polarizable interaction potential for water from coupled cluster calculations. I. Analysis of dimer potential energy surface. JOURNAL OF CHEMICAL PHYSICS, 128(9) , MAR 7 2008 . R. Bukowski, K. Szalewicz, G. C. Groenenboom, and A. van der Avoird. Polarizable interaction potential for water from coupled cluster calculations. I. Analysis of dimer potential energy surface. JOURNAL OF CHEMICAL PHYSICS, 128(9), MAR 7 2008. / MAR / Polarizable interaction potential for water from coupled cluster calculations. I. Analysis of dimer potential energy surface. JOURNAL OF CHEMICAL PHYSICS, 128(9) by Bukowski R. (2008)
  3. 10.1063/1.478797
  4. 10.1063/1.1423940
  5. 10.1063/1.1423942
  6. 10.1063/1.1447904
  7. E. J. Bylaska NWChem , A Computational Chemistry Package for Parallel Computers, Version 5.1 , 2007 . E. J. Bylaska et al. NWChem, A Computational Chemistry Package for Parallel Computers, Version 5.1, 2007. / A Computational Chemistry Package for Parallel Computers, Version 5.1 by Bylaska E. J. (2007)
  8. 10.1039/b809435g
  9. 10.1126/science.271.5245.59
  10. W. A. de Jong and S. Krishnamoorthy . private communication , 2008 . W. A. de Jong and S. Krishnamoorthy. private communication, 2008. / private communication by de Jong W. A. (2008)
  11. 10.1145/77626.79170
  12. J. Dongarra , K. London , S. Moore , P. Mucci , and D. Terpstra . Using PAPI for Hardware Performance Monitoring on Linux Systems. In Conference on Linux Clusters: The HPC Revolution, Linux Clusters Institute , Urbana, Illinois , 2001 . J. Dongarra, K. London, S. Moore, P. Mucci, and D. Terpstra. Using PAPI for Hardware Performance Monitoring on Linux Systems. In Conference on Linux Clusters: The HPC Revolution, Linux Clusters Institute, Urbana, Illinois, 2001. / Using PAPI for Hardware Performance Monitoring on Linux Systems. In Conference on Linux Clusters: The HPC Revolution, Linux Clusters Institute by Dongarra J. (2001)
  13. N. E. Dorsey . Properties of Ordinary Water-Substance . ACS Monograph Series . Reinhold, New York , 1940 . N. E. Dorsey. Properties of Ordinary Water-Substance. ACS Monograph Series. Reinhold, New York, 1940. / Properties of Ordinary Water-Substance / ACS Monograph Series by Dorsey N. E. (1940)
  14. 10.1063/1.456153
  15. T. H. Dunning , K. A. Peterson , D. E. Woon , and A. K. Wilson . Quantifying quantum chemistry . In American Conference on Theoretical Chemistry , 1999 . unpublished. T. H. Dunning, K. A. Peterson, D. E. Woon, and A. K. Wilson. Quantifying quantum chemistry. In American Conference on Theoretical Chemistry, 1999. unpublished. / American Conference on Theoretical Chemistry by Dunning T. H. (1999)
  16. 10.1063/1.1767519
  17. 10.1063/1.2358137
  18. 10.1021/jp056477k
  19. 10.1063/1.2837299
  20. 10.1038/315207a0
  21. 10.1002/qua.560300738
  22. B. Hille . Ionic Channels of Excitable Membranes . Sinauer Associated, Inc. , Sunderland, MA , 2 nd edition edition, 1992 . B. Hille. Ionic Channels of Excitable Membranes. Sinauer Associated, Inc., Sunderland, MA, 2nd edition edition, 1992. / Ionic Channels of Excitable Membranes by Hille B. (1992)
  23. 10.1021/jp034596z
  24. S. Hirata , M. Valiev , M. Dupuis , S. S. Xantheas , S. Sugiki , and H. Sekino . Fast electron correlation methods for molecular clusters in the ground and excited states . Molecular Physics, 103(15--16):2255--2265, AUG 10 2005 . S. Hirata, M. Valiev, M. Dupuis, S. S. Xantheas, S. Sugiki, and H. Sekino. Fast electron correlation methods for molecular clusters in the ground and excited states. Molecular Physics, 103(15--16):2255--2265, AUG 10 2005. / Molecular Physics, 103(15--16):2255--2265, AUG / Fast electron correlation methods for molecular clusters in the ground and excited states by Hirata S. (2005)
  25. 10.1021/ct800142f
  26. 10.1021/je60064a005
  27. 10.1073/pnas.191266498
  28. 10.1016/S0009-2614(96)01387-5
  29. 10.1038/381501a0
  30. 10.1126/science.271.5245.62
  31. 10.1021/ja00087a042
  32. 10.1063/1.2920482
  33. 10.1103/PhysRev.46.618
  34. 10.1021/ct600366k
  35. 10.1063/1.2759484
  36. 10.1021/jp044564r
  37. 10.1126/science.1411509
  38. 10.1016/S0009-2614(89)87395-6
  39. A. P. Rendell T. J. Lee A. Komornicki and S. Wilson. Evaluation of the contribution from triply excited intermediates to the fourth-order perturbation theory energy on Intel distributed memory supercomputers. Theoretical Chemistry Accounts: Theory Computation and Modeling (Theoretica Chimica Acta) 84(4--5):271--287 1992. A. P. Rendell T. J. Lee A. Komornicki and S. Wilson. Evaluation of the contribution from triply excited intermediates to the fourth-order perturbation theory energy on Intel distributed memory supercomputers. Theoretical Chemistry Accounts: Theory Computation and Modeling (Theoretica Chimica Acta) 84(4--5):271--287 1992. (10.1007/BF01113267)
  40. G. W. Robinson , S. B. Zhu , S. Singh , and M. W. Evans . Water in Biology, Chemistry and Physics. Experimental Overviews and Computational Methodologies . World Scientific Publishing Co. Pte. Ltd , Singapore, 1996 . G. W. Robinson, S. B. Zhu, S. Singh, and M. W. Evans. Water in Biology, Chemistry and Physics. Experimental Overviews and Computational Methodologies. World Scientific Publishing Co. Pte. Ltd, Singapore, 1996. (10.1142/2923) / Water in Biology, Chemistry and Physics. Experimental Overviews and Computational Methodologies by Robinson G. W. (1996)
  41. W. Ruttinger and G. C. Dismukes . Synthetic Water-Oxidation Catalysts for Artificial Photosynthetic Water Oxidation. Chemical Reviews , 97 ( 1 ): 1 -- 24 , 1997 . W. Ruttinger and G. C. Dismukes. Synthetic Water-Oxidation Catalysts for Artificial Photosynthetic Water Oxidation. Chemical Reviews, 97(1):1--24, 1997. / Synthetic Water-Oxidation Catalysts for Artificial Photosynthetic Water Oxidation. Chemical Reviews by Ruttinger W. (1997)
  42. 10.1140/epje/i2002-10080-6
  43. 10.1557/S0883769400052295
  44. 10.1016/S0167-2789(99)00077-9
  45. 10.1063/1.1626624
  46. 10.1063/1.1423941
Dates
Type When
Created 15 years, 9 months ago (Nov. 17, 2009, 8:30 a.m.)
Deposited 2 months, 2 weeks ago (June 18, 2025, 8:41 a.m.)
Indexed 1 month ago (Aug. 2, 2025, 1:08 a.m.)
Issued 15 years, 9 months ago (Nov. 14, 2009)
Published 15 years, 9 months ago (Nov. 14, 2009)
Published Online 15 years, 9 months ago (Nov. 14, 2009)
Published Print 15 years, 9 months ago (Nov. 14, 2009)
Funders 1
  1. UT-Battelle, LLC for the U. S. Department of Energy with Oak Ridge National Laboratory
    Awards1
    1. DE-AC05-00OR22725

@inproceedings{Apr__2009, series={SC ’09}, title={Liquid water: obtaining the right answer for the right reasons}, url={http://dx.doi.org/10.1145/1654059.1654127}, DOI={10.1145/1654059.1654127}, booktitle={Proceedings of the Conference on High Performance Computing Networking, Storage and Analysis}, publisher={ACM}, author={Aprà, Edoardo and Rendell, Alistair P. and Harrison, Robert J. and Tipparaju, Vinod and deJong, Wibe A. and Xantheas, Sotiris S.}, year={2009}, month=nov, pages={1–7}, collection={SC ’09} }