Deep Learning for Molecular Thermodynamics

Author:

Malik HassaanORCID,Chaudhry Muhammad UmarORCID,Jasinski MichalORCID

Abstract

The methods used in chemical engineering are strongly reliant on having a solid grasp of the thermodynamic features of complex systems. It is difficult to define the behavior of ions and molecules in complex systems and to make reliable predictions about the thermodynamic features of complex systems across a wide range. Deep learning (DL), which can provide explanations for intricate interactions that are beyond the scope of traditional mathematical functions, would appear to be an effective solution to this problem. In this brief Perspective, we provide an overview of DL and review several of its possible applications within the realm of chemical engineering. DL approaches to anticipate the molecular thermodynamic characteristics of a broad range of systems based on the data that are already available are also described, with numerous cases serving as illustrations.

Funder

Wroclaw University of Sciecne and Techology

Publisher

MDPI AG

Subject

Energy (miscellaneous),Energy Engineering and Power Technology,Renewable Energy, Sustainability and the Environment,Electrical and Electronic Engineering,Control and Optimization,Engineering (miscellaneous),Building and Construction

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