Molecular Networking

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A01=Caroline Desgranges
A01=Jerome Delhommelle
active matter dynamics
Age Group_Uncategorized
Age Group_Uncategorized
Artificial intelligence and machine learning of molecular trends
Author_Caroline Desgranges
Author_Jerome Delhommelle
automatic-update
Big data and molecular social networking
Big data in motion
Category1=Non-Fiction
Category=PHM
Category=PHS
Category=PHV
Category=PNRP
Category=UYQ
computational chemistry
COP=United Kingdom
Delivery_Pre-order
eq_bestseller
eq_computing
eq_isMigrated=2
eq_nobargain
eq_non-fiction
eq_science
Language_English
machine learning for molecular systems
molecular simulation techniques
Molecular systems
neural network potentials
PA=Not yet available
Price_€100 and above
PS=Active
quantum interactions
softlaunch
Statistical mechanics
thermodynamic modeling

Product details

  • ISBN 9780367438937
  • Weight: 660g
  • Dimensions: 178 x 254mm
  • Publication Date: 29 Jan 2024
  • Publisher: Taylor & Francis Ltd
  • Publication City/Country: GB
  • Product Form: Hardback
  • Language: English
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The book builds on the analogy between social groups and assemblies of molecules to introduce the concepts of statistical mechanics, machine learning and data science. Applying a data analytics approach to molecular systems, we show how individual (molecular) features and interactions between molecules, or "communication" processes, allow for the prediction of properties and collective behavior of molecular systems - just as polling and social networking shed light on the behavior of social groups. Applications to systems at the cutting-edge of research for biological, environmental, and energy applications are also presented.

Key features:

  • Draws on a data analytics approach of molecular systems
  • Covers hot topics such as artificial intelligence and machine learning of molecular trends
  • Contains applications to systems at the cutting-edge of research for biological, environmental and energy applications
  • Discusses molecular simulation and links with other important, emerging techniques and trends in computational sciences and society
  • Authors have a well-established track record and reputation in the field

Dr. Caroline Desgranges received a DEA in Physics in 2005 from the University Paul Sabatier-Toulouse III (France) and a PhD in Chemical Engineering from the University of South Carolina (USA) in 2008. She is currently a Research Assistant Professor in Physics & Applied Physics at the University of Massachusetts Lowell.

Dr. Jerome Delhommelle did his undergraduate studies at the Ecole Normale Superieure Paris-Saclay and received his PhD in Chemistry from the University of Paris-Saclay (France) in 2000. He is currently an Associate Professor in Chemistry at the University of Massachusetts Lowell.

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