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Title: P si 4N um P y : An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development

Abstract

Not provided.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [2];  [3];  [3];  [4];  [4];  [5];  [5]; ORCiD logo [6];  [7];  [8];  [9];  [10]; ORCiD logo [11]; ORCiD logo [1];  [12]; ORCiD logo [9]; ORCiD logo [13] more »; ORCiD logo [5]; ORCiD logo [5]; ORCiD logo [4]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [10]; ORCiD logo [1] « less
  1. Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, United States
  2. Department of Chemistry and Biochemistry, Florida State University, Tallahassee, Florida 32306-4390, United States
  3. Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061, United States
  4. Department of Chemistry, Emory University, Atlanta, Georgia 30322, United States
  5. Center for Computational Quantum Chemistry, University of Georgia, Athens, Georgia 30602, United States
  6. University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States
  7. Department of Chemistry, Technical University of Munich, 80333 Munich, Germany
  8. The Technical Institute of Aeronautics, São José dos Campos, 12228-900, Brazil
  9. Department of Chemistry, Bethel University, St. Paul, Minnesota 55112, United States
  10. Department of Chemistry and Biochemistry, Auburn University, Auburn, Alabama 36849, United States
  11. Department of Chemistry, University of California Berkeley, Berkeley, California 94720, United States
  12. Department of Chemistry and Biochemistry, University of California, Los Angeles, California 90095, United States
  13. National Institutes of Health - National Heart, Lung and Blood Institute, Laboratory of Computational Biology, 5635 Fishers Lane, T-900 Suite, Rockville, Maryland 20852, United States
Publication Date:
Research Org.:
Emory Univ., Atlanta, GA (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1539141
DOE Contract Number:  
SC0016004
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Theory and Computation
Additional Journal Information:
Journal Volume: 14; Journal Issue: 7; Journal ID: ISSN 1549-9618
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
Chemistry; Physics

Citation Formats

Smith, Daniel G. A., Burns, Lori A., Sirianni, Dominic A., Nascimento, Daniel R., Kumar, Ashutosh, James, Andrew M., Schriber, Jeffrey B., Zhang, Tianyuan, Zhang, Boyi, Abbott, Adam S., Berquist, Eric J., Lechner, Marvin H., Cunha, Leonardo A., Heide, Alexander G., Waldrop, Jonathan M., Takeshita, Tyler Y., Alenaizan, Asem, Neuhauser, Daniel, King, Rollin A., Simmonett, Andrew C., Turney, Justin M., Schaefer, Henry F., Evangelista, Francesco A., DePrince, A. Eugene, Crawford, T. Daniel, Patkowski, Konrad, and Sherrill, C. David. P si 4N um P y : An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development. United States: N. p., 2018. Web. doi:10.1021/acs.jctc.8b00286.
Smith, Daniel G. A., Burns, Lori A., Sirianni, Dominic A., Nascimento, Daniel R., Kumar, Ashutosh, James, Andrew M., Schriber, Jeffrey B., Zhang, Tianyuan, Zhang, Boyi, Abbott, Adam S., Berquist, Eric J., Lechner, Marvin H., Cunha, Leonardo A., Heide, Alexander G., Waldrop, Jonathan M., Takeshita, Tyler Y., Alenaizan, Asem, Neuhauser, Daniel, King, Rollin A., Simmonett, Andrew C., Turney, Justin M., Schaefer, Henry F., Evangelista, Francesco A., DePrince, A. Eugene, Crawford, T. Daniel, Patkowski, Konrad, & Sherrill, C. David. P si 4N um P y : An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development. United States. doi:10.1021/acs.jctc.8b00286.
Smith, Daniel G. A., Burns, Lori A., Sirianni, Dominic A., Nascimento, Daniel R., Kumar, Ashutosh, James, Andrew M., Schriber, Jeffrey B., Zhang, Tianyuan, Zhang, Boyi, Abbott, Adam S., Berquist, Eric J., Lechner, Marvin H., Cunha, Leonardo A., Heide, Alexander G., Waldrop, Jonathan M., Takeshita, Tyler Y., Alenaizan, Asem, Neuhauser, Daniel, King, Rollin A., Simmonett, Andrew C., Turney, Justin M., Schaefer, Henry F., Evangelista, Francesco A., DePrince, A. Eugene, Crawford, T. Daniel, Patkowski, Konrad, and Sherrill, C. David. Thu . "P si 4N um P y : An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development". United States. doi:10.1021/acs.jctc.8b00286.
@article{osti_1539141,
title = {P si 4N um P y : An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development},
author = {Smith, Daniel G. A. and Burns, Lori A. and Sirianni, Dominic A. and Nascimento, Daniel R. and Kumar, Ashutosh and James, Andrew M. and Schriber, Jeffrey B. and Zhang, Tianyuan and Zhang, Boyi and Abbott, Adam S. and Berquist, Eric J. and Lechner, Marvin H. and Cunha, Leonardo A. and Heide, Alexander G. and Waldrop, Jonathan M. and Takeshita, Tyler Y. and Alenaizan, Asem and Neuhauser, Daniel and King, Rollin A. and Simmonett, Andrew C. and Turney, Justin M. and Schaefer, Henry F. and Evangelista, Francesco A. and DePrince, A. Eugene and Crawford, T. Daniel and Patkowski, Konrad and Sherrill, C. David},
abstractNote = {Not provided.},
doi = {10.1021/acs.jctc.8b00286},
journal = {Journal of Chemical Theory and Computation},
issn = {1549-9618},
number = 7,
volume = 14,
place = {United States},
year = {2018},
month = {5}
}