Empowering
Science

About AISI

AI for Science Institute (AISI) was founded by Professor Weinan E in September 2021 in Beijing. Our mission is to advance the frontiers of sciences based on the first-principle physics and machine learning algorithms. We are committed to revolutionizing the paradigms for scientific research and constructing the world-leading AI for Science infrastructure platform.

Our researchers come from world-famous universities, research institutes, and technology companies with diverse backgrounds in physics, scientific computing, machine learning, and high-performance computing. We share the same research interest in solving the key problems in these cross-disciplinary fields.

The institute provides a highly interactive research environment, protecting and promoting independent inquiry and interdisciplinary collaboration so that members can enjoy complete intellectual liberty to develop and explore new concepts and knowledge for AI-assisted scientific research.

Quantum Mechanics and Density Functional Theory Model Driven by Machine Learning

Develop AI-assisted electronic structure enhancement algorithm and periodic Density Functional Theory calculation software. Committed to the realization of theoretical prediction by means of artificial intelligence, so as to better apply theory to solve practical problems.

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Computer-aided Material Design and Database/Model Library Development.

Develop multi-scale simulation technology based on artificial intelligence algorithm, apply it to material research, and construct the basic database, model base and workflow of material research.

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Machine Learning-aided Combustion Reaction Fluid Model and Computing Method

Committed to the integration of artificial intelligence and high-performance computing methods into combustion science, computational fluid dynamics and computational chemistry. Developed Machine learning-aided combustion simulation method, and launched several leading open source projects，such as DeepFlame.

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