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Sims JS, George WL, Satterfield SG, et al. Accelerating Scientific Discovery Through Computation and Visualization II. J Res Natl Inst Stand Technol. 2002;107(3):223-45doi: 10.6028/jres.107.019.
Sims, J. S., George, W. L., Satterfield, S. G., Hung, H. K., Hagedorn, J. G., Ketcham, P. M., Griffin, T. J., Hagstrom, S. A., Franiatte, J. C., Bryant, G. W., Jaskólski, W., Martys, N. S., Bouldin, C. E., Simmons, V., Nicolas, O. P., Warren, J. A., Am Ende, B. A., Koontz, J. E., Filla, B. J., Pourprix, V. G., Copley, S. R., Bohn, R. B., Peskin, A. P., Parker, Y. M., & Devaney, J. E. (2002). Accelerating Scientific Discovery Through Computation and Visualization II. Journal of research of the National Institute of Standards and Technology, 107(3), 223-45. https://doi.org/10.6028/jres.107.019
Sims, James S, et al. "Accelerating Scientific Discovery Through Computation and Visualization II." Journal of research of the National Institute of Standards and Technology vol. 107,3 (2002): 223-45. doi: https://doi.org/10.6028/jres.107.019
Sims JS, George WL, Satterfield SG, Hung HK, Hagedorn JG, Ketcham PM, Griffin TJ, Hagstrom SA, Franiatte JC, Bryant GW, Jaskólski W, Martys NS, Bouldin CE, Simmons V, Nicolas OP, Warren JA, Am Ende BA, Koontz JE, Filla BJ, Pourprix VG, Copley SR, Bohn RB, Peskin AP, Parker YM, Devaney JE. Accelerating Scientific Discovery Through Computation and Visualization II. J Res Natl Inst Stand Technol. 2002 Jun 01;107(3):223-45. doi: 10.6028/jres.107.019. Print 2002. PMID: 27446728; PMCID: PMC4861354.
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J Res Natl Inst Stand Technol. 2002 Jun 01;107(3):223-45. doi: 10.6028/jres.107.019. Print 2002.

Accelerating Scientific Discovery Through Computation and Visualization II.

Journal of research of the National Institute of Standards and Technology

James S Sims, William L George, Steven G Satterfield, Howard K Hung, John G Hagedorn, Peter M Ketcham, Terence J Griffin, Stanley A Hagstrom, Julien C Franiatte, Garnett W Bryant, W Jaskólski, Nicos S Martys, Charles E Bouldin, Vernon Simmons, Oliver P Nicolas, James A Warren, Barbara A Am Ende, John E Koontz, B James Filla, Vital G Pourprix, Stefanie R Copley, Robert B Bohn, Adele P Peskin, Yolanda M Parker, Judith E Devaney

Affiliations

  1. National Institute of Standards and Technology, Gaithersburg, MD 20899-001.
  2. Department of Chemistry, Indiana University, Bloomington, Indiana 47405.
  3. Instytut Fizyki UMK, Grudziadzka 5, 87-100 Torun, Poland.
  4. National Institute of Standards and Technology, Boulder, CO 80305.

PMID: 27446728 PMCID: PMC4861354 DOI: 10.6028/jres.107.019

Abstract

This is the second in a series of articles describing a wide variety of projects at NIST that synergistically combine physical science and information science. It describes, through examples, how the Scientific Applications and Visualization Group (SAVG) at NIST has utilized high performance parallel computing, visualization, and machine learning to accelerate research. The examples include scientific collaborations in the following areas: (1) High Precision Energies for few electron atomic systems, (2) Flows of suspensions, (3) X-ray absorption, (4) Molecular dynamics of fluids, (5) Nanostructures, (6) Dendritic growth in alloys, (7) Screen saver science, (8) genetic programming.

Keywords: FEFF; FeffMPI; Hylleraas-Configuration Interaction; Lennard-Jones; QDPD; discovery science; genetic programming; immersive environments; nanostructures; parallel computing; scientific visualization; screen saver science

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