Harnessing the Department of Energy’s High-Performance Computing Expertise to Strengthen the U.S. Chemical Enterprise

作者: David A. Dixon , Michel Dupuis , Bruce C. Garrett , Jeffrey B. Neaton , Charity Plata

DOI: 10.2172/1035428

关键词:

摘要: High-performance computing (HPC) is one area where the DOE has developed extensive expertise and capability. However, this currently not properly shared with or used by private sector to speed product development, enable industry move rapidly into new areas, improve quality. Such use would lead substantial competitive advantages in global markets yield important economic returns for United States. To stimulate dissemination of DOE's HPC expertise, Council Chemical Research (CCR) jointly held a workshop on topic. Four energy topic areas were chosen as focus meeting: Biomass/Bioenergy, Catalytic Materials, Energy Storage, Photovoltaics. Academic, industrial, government experts these participated identify needs, evaluate current state offer proposed actions strategies, forecast expected benefits implementing those strategies.

参考文章(28)
Yuji Shinano, Tobias Achterberg, Timo Berthold, Stefan Heinz, Thorsten Koch, ParaSCIP: A Parallel Extension of SCIP Competence in High Performance Computing 2010. pp. 135- 148 ,(2011) , 10.1007/978-3-642-24025-6_12
Partha P. Mukherjee, Sreekanth Pannala, John A. Turner, Modeling and Simulation of Battery Systems John Wiley & Sons, Ltd. pp. 841- 875 ,(2011) , 10.1002/9783527637188.CH25
Keith Kline, Virginia H Dale, Russell Lee, Paul Leiby, In Defense of Biofuels, Done Right Issues in Science and Technology. ,vol. 25, ,(2009)
Matthew Neurock, Rutger Anthony Van Santen, Molecular heterogeneous catalysis ,(2006)
G. P. Robertson, V. H. Dale, O. C. Doering, S. P. Hamburg, J. M. Melillo, M. M. Wander, W. J. Parton, P. R. Adler, J. N. Barney, R. M. Cruse, C. S. Duke, P. M. Fearnside, R. F. Follett, H. K. Gibbs, J. Goldemberg, D. J. Mladenoff, D. Ojima, M. W. Palmer, A. Sharpley, L. Wallace, K. C. Weathers, J. A. Wiens, W. W. Wilhelm, Sustainable Biofuels Redux Science. ,vol. 322, pp. 49- 50 ,(2008) , 10.1126/SCIENCE.1161525
Zhenguo Yang, Jianlu Zhang, Michael C. W. Kintner-Meyer, Xiaochuan Lu, Daiwon Choi, John P. Lemmon, Jun Liu, Electrochemical Energy Storage for Green Grid Chemical Reviews. ,vol. 111, pp. 3577- 3613 ,(2011) , 10.1021/CR100290V
John J Sheehan, Biofuels and the conundrum of sustainability. Current Opinion in Biotechnology. ,vol. 20, pp. 318- 324 ,(2009) , 10.1016/J.COPBIO.2009.05.010
J. K. Norskov, F. Abild-Pedersen, F. Studt, T. Bligaard, Density functional theory in surface chemistry and catalysis. Proceedings of the National Academy of Sciences of the United States of America. ,vol. 108, pp. 937- 943 ,(2011) , 10.1073/PNAS.1006652108
Branko Ruscic, Reinhardt E. Pinzon, Melita L. Morton, Gregor von Laszevski, Sandra J. Bittner, Sandeep G. Nijsure, Kaizar A. Amin, Michael Minkoff, Albert F. Wagner, Introduction to Active Thermochemical Tables: Several “Key” Enthalpies of Formation Revisited† Journal of Physical Chemistry A. ,vol. 108, pp. 9979- 9997 ,(2004) , 10.1021/JP047912Y