Ebook: Machine Learning in Molecular Sciences
Author: Chen Qu, Hanchao Liu
- Genre: Computers // Algorithms and Data Structures: Pattern Recognition
- Series: Challenges and Advances in Computational Chemistry and Physics
- Year: 2023
- Publisher: Springer International Publishing
- Language: English
- epub
Machine learning and artificial intelligence have propelled research across various molecular science disciplines thanks to the rapid progress in computing hardware, algorithms, and data accumulation. This book presents recent machine learning applications in the broad research field of molecular sciences. Written by an international group of renowned experts, this edited volume covers both the machine learning methodologies and state-of-the-art machine learning applications in a wide range of topics in molecular sciences, from electronic structure theory to nuclear dynamics of small molecules, to the design and synthesis of large organic and biological molecules. This book is a valuable resource for researchers and students interested in applying machine learning in the research of molecular sciences.
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