AUTONOMY AND AUTOMATION: COMPUTATIONAL MODELING, REDUCTION, AND EXPLANATION IN QUANTUM CHEMISTRY.

This paper discusses how computational modeling combines the autonomy of models with the automation of computational procedures. In particular, the case of ab-initio methods in quantum chemistry will be investigated to draw two lessons from the analysis of computational modeling. The first belongs t...

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Publicado en:Monist Vol. 97; no. 3; pp. 339 - 359
Autor principal: Lenhard, Johannes
Formato: Artículo
Publicado: Oxford University Press / USA Jul2014
Materias:
Acceso en línea:Ver este registro en EBSCOhost
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        au: Lenhard, Johannes
        affil: Universität Bielefeld
      su:
        Mathematical models
        Simulation methods & models
        Quantum chemistry
        Philosophy of science
        Philosophy of chemistry
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        subj:
          Mathematical models
          Simulation methods & models
          Quantum chemistry
          Philosophy of science
          Philosophy of chemistry
      ab: This paper discusses how computational modeling combines the autonomy of models with the automation of computational procedures. In particular, the case of ab-initio methods in quantum chemistry will be investigated to draw two lessons from the analysis of computational modeling. The first belongs to general philosophy of science: Computational modeling faces a trade-off and enlarges predictive force at the cost of explanatory force. The other lesson is about the philosophy of chemistry: The methodology of computational modeling puts into doubt claims about the reduction of chemistry to physics.
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    language: English
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