LIBEFP: A new parallel implementation of the effective fragment potential method as a portable software library (English)
- New search for: Kaliman, Ilya A.
- New search for: Slipchenko, Lyudmila V.
- New search for: Kaliman, Ilya A.
- New search for: Slipchenko, Lyudmila V.
In:
Journal of Computational Chemistry
;
34
, 26
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2284-2292
;
2013
- Article (Journal) / Electronic Resource
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Title:LIBEFP: A new parallel implementation of the effective fragment potential method as a portable software library
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Contributors:Kaliman, Ilya A. ( author ) / Slipchenko, Lyudmila V. ( author )
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Published in:Journal of Computational Chemistry ; 34, 26 ; 2284-2292
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Publisher:
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Publication date:2013-10-05
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Size:10 pages
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Keywords:
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Source:
Table of contents – Volume 34, Issue 26
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 2223
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1,3‐Dipolar cycloadditions of Stone–Wales defective single‐walled carbon nanotubes: A theoretical studyYang, Tao / Zhao, Xiang / Nagase, Shigeru et al. | 2013
- 2233
-
A protocol to evaluate one electron redox potential for iron complexesKim, Hyungjun / Park, Joungwon / Lee, Yoon Sup et al. | 2013
- 2242
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Bonding analysis of planar hypercoordinate atoms via the generalized BLW‐LOLBomble, Laetitia / Steinmann, Stephan N. / Perez‐Peralta, Nancy / Merino, Gabriel / Corminboeuf, Clemence et al. | 2013
- 2249
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GPU‐accelerated molecular mechanics computationsAnthopoulos, Athanasios / Grimstead, Ian / Brancale, Andrea et al. | 2013
- 2261
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Bond detectors for molecular dynamics simulations, Part I: Hydrogen bondsStachowicz, Anna / Korchowiec, Jacek et al. | 2013
- 2270
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Ligand release mechanisms and channels in histone deacetylasesKalyaanamoorthy, Subha / Chen, Yi‐Ping Phoebe et al. | 2013
- 2284
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LIBEFP: A new parallel implementation of the effective fragment potential method as a portable software libraryKaliman, Ilya A. / Slipchenko, Lyudmila V. et al. | 2013
- 2293
-
New implementation of high‐level correlated methods using a general block tensor library for high‐performance electronic structure calculationsEpifanovsky, Evgeny / Wormit, Michael / Kuś, Tomasz / Landau, Arie / Zuev, Dmitry / Khistyaev, Kirill / Manohar, Prashant / Kaliman, Ilya / Dreuw, Andreas / Krylov, Anna I. et al. | 2013
- 2310
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Grcarma: A fully automated task‐oriented interface for the analysis of molecular dynamics trajectoriesKoukos, Panagiotis I. / Glykos, Nicholas M. et al. | 2013