Chemists at the UdG have described new ways for geometric representation of quantum objects

In a paper recently published in the Journal of Mathematical Chemistry, researchers Ramon Carbó-Dorca and Emili Besalú presented a number of definitions that allow advancing in the field of virtual discrete molecular description.

Chemists at the University of Girona (Girona) Ramon Carbó-Dorca and Emili Besalú have compiled a list of definitions designed to work in the field of Molecular Similarity and more generally, in that of Quantum Similarity. In a paper recently published in the Journal of Mathematical Chemistry, the authors presented a summary of the basic mathematics that can be found at the foundations of Quantum Similarity.

Researchers at the Department of Chemistry and the Institute of Computational Chemistry of the UDG have taken as a starting point the most representative concepts such as “set of quantum objects” and “molecular point cloud”. From these definitions one can extract many new mathematical elements and concepts related to “the vector semispaces”, a concept they developed years ago.

New holographic properties found
In this context, Carbó-Dorca and Besalú have defined new operations based on generalized scalar products that allow describing discrete distributions of quantum objects (such as molecules, for example). The authors have described new ways for geometric expression of quantum objects and have found some holographic properties related with vector semispaces.

The study, entitled “Shells, cloud point huts, generalized scalar products, cosines and similarity tensor representations in vector semispaces”, opens the door to a tensorial description (multidimensional, with arbitrary dimensions) of molecular structures.

One of the aims of the authors’ research is to seek new methodologies that allow predicting quantum objects properties, like in the case of molecules and their pharmacological activities, among others. The definitions presented in the article allow advancing in the field of virtual discrete molecular description by assigning it specific properties (that are non-existent in other classical theoretical bases) of universality, absence of bias and causality in the structure-properties relations.

See the article here.

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