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UNIVERSITY OF BUCHAREST
FACULTY OF PHYSICS Guest
2024-11-23 17:43 |
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Conference: Bucharest University Faculty of Physics 2023 Meeting
Section: Polymer Physics
Title:
Exploring the Potential of Artificial Intelligence Language Models in Monte Carlo Simulations in Polymer Physics
Authors:
Adrian BERLIC(1), Catalin BERLIC(1)
Affiliation:
1) University of Bucharest, Faculty of Physics, 405 Atomistilor Street, 077125, Magurele, Romania
E-mail
cataliniulian.berlic@g.unibuc.ro
Keywords:
artificial intelligence, Monte Carlo simulations, polymer physics, machine learning, conformational sampling, property prediction
Abstract:
The application of artificial intelligence (AI) techniques in Monte Carlo simulations of polymer physics holds significant promise for enhancing the understanding of polymer behavior and accelerating the discovery of novel materials with tailored properties. In this work, we explore the potential of AI in Monte Carlo simulations of polymer physics, aiming to unlock new ways for predictive modeling and efficient exploration of polymer systems. First of all, AI can assists in developing novel algorithms or improving existing ones used in Monte Carlo simulations. It may be also involved in designing efficient sampling techniques, optimizing simulation parameters, or developing intelligent strategies for enhanced conformational sampling. By training machine learning models on large datasets of simulated polymer systems, it can help estimate physical properties of polymers, enabling researchers to gain insights without performing extensive simulations. Large language models can provide guidance and recommendations during the simulation process. We asked specific questions, and we seek advice on selecting appropriate simulation parameters, optimizing sampling strategies, or exploring specific aspects of polymer physics. We note that while AI can assist us in various aspects of Monte Carlo simulations, the actual implementation and execution of the simulations would typically be performed using specialized software and computational resources. The main role of AI is to provide guidance, support, and insights based on the information and knowledge available to it.
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