Quantum chemistry and cheminformatics

Quantum chemistry and cheminformatics

26 Set 2024 > 27 Set 2024
Quantum chemistry and cheminformatics
Il 26 e il 27 settembre presso l' Accademia Nazionale dei Lincei si svolgerà il convegno "Quantum chemistry and cheminformatics".
L'evento verrà trasmesso in diretta streaming su https://www.lincei.it/it/dirette-streaming

One century ago, at the birth of quantum mechanics, Dirac claimed the discovery of the founding laws of chemistry, as the science of materials at the atomic and molecular level -- however admitting that the challenge to full application needed development of efficient computational techniques. The following decade recorded the birth of information science (Von Neumann and Wigner were among founding fathers of both sciences): progress and implementations to chemistry became instrumental and today mature: Quantum Chemistry explains and predicts a variety of new phenomena, occurring in the rarefied situations of the planetary atmospheres and of the interstellar medium, and including those relevant for thermal and non-equilibrium plasmas; emerging tasks are imposed to biochemists, instrumental to life and health sciences; research is active on the electro-magnetic properties of solid conductors and semiconductors for optoelectronic applications; current Holy Grail is the chemical hardware to support exploitation of Quantum Computing. Physicochemical models at micro, meso and macro scales allow one to accumulate myriads of data that can be handled through cheminformatics approaches for the scrutiny of properties of materials or molecules, both exploiting through powerful Machine Learning methods to obtain otherwise unavailable information and to highlight through Artificial Intelligence technology correlations and universalities of behavior otherwise hidden in the non-linear equations of current complexity theory.

Programma

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