How Open Is Commercial Scientific Software?

Journal of Physical Chemistry Letters

Volumn 7, Issue 2, 2016, Pages 351-353

  Jacob, Christoph R ^a  

^a TECHNICAL UNIVERSITY OF BRAUNSCHWEIG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84955440628     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/acs.jpclett.5b02609     Document Type: Review

References (20)

1. Wikipedia: List of quantum chemistry and solid-state physics software. https://en.wikipedia.org/wiki/List of quantum chemistry and solid-state physics software
2. See, e.g., NWChem (http://www.nwchem-sw.org), PSI4 (http://www.psicode.org/), Bagel (http://www.shiozaki.northwestern.edu/bagel.php), PySCF (http://chemists.princeton.edu/chan/software/pyscf/), Octopus (http://www.tddft.org/programs/octopus/), or QuantumEspresso (www.quantum-espresso.org) (accessed November 22, 2015).
3. Wikipedia: Open-source software. https://en.wikipedia.org/wiki/Open-source software (2015).
4. See, e.g., ORCA. https://orcaforum.cec.mpg.de/ (2015).
5. See, e.g., GAMESS (http://www.msg.ameslab.gov/gamess/), DALTON (http://www.daltonprogram.org/), or DIRAC (http://diracprogram.org) (accessed November 22, 2015).
6. Gezelter, J. D. Open Source and Open Data Should Be Standard Practices J. Phys. Chem. Lett. 2015, 6, 1168-1169 10.1021/acs.jpclett.5b00285
7. Hong, N. C.; Hettrick, S.; Jones, A.; Katz, D. S. The Price of Open-Source Software -A Joint Response. https://danielskatzblog.wordpress.com/2015/08/27/the-price-of-open-source-software-a-joint-response/ (Aug 27, 2015).
8. Krylov, A. I.; Herbert, J. M.; Furche, F.; Head-Gordon, M.; Knowles, P. J.; Lindh, R.; Manby, F. R.; Pulay, P.; Skylaris, C.-K.; Werner, H.-J. What Is the Price of Open-Source Software? J. Phys. Chem. Lett. 2015, 6, 2751-2754 10.1021/acs.jpclett.5b01258
9. For a detailed rebuttal, see Miletić, V., What is the price of open-source fear, uncertainty, and doubt? https://nudgedelastic.band/2015/09/what-is-the-price-of-open-source-fear-uncertainty-and-doubt/ (Sept 14, 2015).
10. Q-CHEM. http://www.q-chem.com (2015).
11. Banned by Gaussian. http://www.bannedbygaussian.org/ (accessed November 22, 2015).
12. Miller, T. F.; Manby, F. R. Methods for a multi-scale description of the electronic structure of molecular systems and materials and related applications, U.S. Patent Application US 14/549,465, Nov 20, 2014.
13. ADF modeling suite. http://www.scm.com (2015).
14. The Software Sustainability Institute. http://www.software.ac.uk/ (2015).
15. 2). http://www.nsf.gov/funding/pgm
16. Netherlands eScience Center. https://www.esciencecenter.nl/ (accessed November 22, 2015).
17. see, e.g., Scientific Computing & Modelling N.V. http://www.scm.com/EUprojects/ (2015).
18. Epifanovsky, E.; Wormit, M.; Kus̈, T.; Landau, A.; Zuev, D.; Khistyaev, K.; Manohar, P.; Kaliman, I.; Dreuw, A.; Krylov, A. I. New implementation of high-level correlated methods using a general block tensor library for high-performance electronic structure calculations J. Comput. Chem. 2013, 34, 2293-2309 10.1002/jcc.23377
19. Kaliman, I. A.; Slipchenko, L. V. LIBEFP: A new parallel implementation of the effective fragment potential method as a portable software library J. Comput. Chem. 2013, 34, 2284-2292 10.1002/jcc.23375
20. For a recent review, see Okoli, C.; Nguyen, J. Business Models for Free and Open Source Software. Available at SSRN http://dx.doi.org/10.2139/ssrn.2568185 (March 13, 2015).