Machine Learning in Molecular Sciences

Chen Qu

ISBN 10: 303137195X / ISBN 13: 9783031371950

Published by Springer, Springer, 2023

About this Item

Druck auf Anfrage Neuware - Printed after ordering - 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.

Seller Inventory # 9783031371950

Bibliographic Details

• Title: Machine Learning in Molecular Sciences
• Publisher: Springer, Springer
• Publication Date: 2023
• Language: English
• ISBN 10: 303137195X
• ISBN 13: 9783031371950
• Binding: Buch
• Condition: Neu
• Dimensions: 241W x 160H x 24D millimeters 241 millimeters width by 160 millimeters height by 24 millimeters depth
• Weight: 658 grams

About this title

Synopsis

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.

About the Author

Chen Qu is currently a research associate of National Institute of Standards and Technology. His current research focuses on applying machine learning methods to predict important chemical properties such as gas chromatography retention indices and mass spectra. He received his Ph.D. at Emory University, where he conducted research primarily on machine learning potential energy surfaces, under the guidance of Prof. Joel Bowman.  

Hanchao Liu is currently a machine learning engineer at Google. His work focuses on building large-scale machine learning infrastructures and platforms. Dr. Liu received his Ph.D. in computational chemistry at Emory University under the tutelage of Prof. Joel Bowman, where he applied computational and machine learning methods to study the vibrational dynamics and spectra of various forms of water.