Deep learning methods for the computation of vibrational wavefunctions

DOI10.1016/j.cnsns.2021.105989OpenAlexW3196601559MaRDI QIDQ2246978

L. Domingo, Florentino Borondo

Publication date: 16 November 2021

Published in: Communications in Nonlinear Science and Numerical Simulation (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/2103.00202

zbMATH Keywords

quantum mechanicsmachine learningdeep learningmolecular vibrational potentials

Mathematics Subject Classification ID

Artificial intelligence (68Txx) Partial differential equations of mathematical physics and other areas of application (35Qxx) Parabolic equations and parabolic systems (35Kxx)

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Uses Software

• Adam
• CoPhy-PGNN
• SchNet
• Q-Chem

Cites Work

• Deep neural networks motivated by partial differential equations
• Physics-informed neural networks: a deep learning framework for solving forward and inverse problems involving nonlinear partial differential equations
• Solving high-dimensional partial differential equations using deep learning
• The elements of statistical learning. Data mining, inference, and prediction
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