Reinforcement learning for traversing chemical structure space: Optimizing transition states and minimum energy paths of molecules
R Barrett, J Westermayr - The Journal of Physical Chemistry …, 2024 - ACS Publications
In recent years, deep learning has made remarkable strides, surpassing human capabilities
in tasks, such as strategy games, and it has found applications in complex domains …
in tasks, such as strategy games, and it has found applications in complex domains …
Numerical solution for high-dimensional partial differential equations based on deep learning with residual learning and data-driven learning
Z Wang, F Weng, J Liu, K Cao, M Hou… - International Journal of …, 2021 - Springer
Solving high-dimensional partial differential equations (PDEs) is a long-term computational
challenge due to the fundamental obstacle known as the curse of dimensionality. This paper …
challenge due to the fundamental obstacle known as the curse of dimensionality. This paper …