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High performance computational chemistry: An overview of NWChem a distributed parallel application
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Citations
Cited by
Zhao, Y., & Truhlar, D. G. (2008) · Theoretical Chemistry Accounts · doi:10.1007/s00214-007-0310-x · Cited by 30,302
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
Giannozzi, P., Baroni, S., Bonini, N., Calandra, M., Car, R., Cavazzoni, C., Ceresoli, D., Chiarotti, G. L., Cococcioni, M., Dabo, I., et al. (2009) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/21/39/395502 · Cited by 29,281
An Evaluation of Harmonic Vibrational Frequency Scale Factors
Merrick, J. P., Moran, D., & Radom, L. (2007) · The Journal of Physical Chemistry A · doi:10.1021/jp073974n · Cited by 2,735
Density functional theory for transition metals and transition metal chemistry
Cramer, C. J., & Truhlar, D. G. (2009) · Physical Chemistry Chemical Physics · doi:10.1039/b907148b · Cited by 1,648
Biological and synthetic membranes: What can be learned from a coarse-grained description?
MULLER, M., KATSOV, K., & SCHICK, M. (2006) · Physics Reports · doi:10.1016/j.physrep.2006.08.003 · Cited by 320
Metadata
- Authors
- Kendall, R. A., Aprà, E., Bernholdt, D. E., Bylaska, E. J., Dupuis, M., Fann, G. I., Harrison, R. J., Ju, J., Nichols, J. A., Nieplocha, J., Straatsma, T. P., Windus, T. L., & Wong, A. T.
- Venue
- Computer Physics Communications
- Publisher
- Elsevier BV
- Published
- 2000-06
- Volume
- 128
- Issue
- 1-2
- Pages
- 260-283
- ISSN
- 0010-4655 (ISSN-L)
- OpenAlex
- W2041591938
- Cited by
- 737
- References
- 0
- FWCI
- 10.27
- Type
- journal article
- Language
- en
- Open access
- green
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Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
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- CoChat. (2026). Citation check: High performance computational chemistry: An overview of NWChem a distributed parallel application. https://app.cochat.ai/papers/10.1016/s0010-4655(00)00065-5
- The paper
- Kendall, R. A., Aprà, E., Bernholdt, D. E., Bylaska, E. J., Dupuis, M., Fann, G. I., Harrison, R. J., Ju, J., Nichols, J. A., Nieplocha, J., Straatsma, T. P., Windus, T. L., & Wong, A. T. (2000). High performance computational chemistry: An overview of NWChem a distributed parallel application. Computer Physics Communications. https://doi.org/10.1016/s0010-4655(00)00065-5
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
