Machine Learning in Molecular Sciences
portes grátis
Machine Learning in Molecular Sciences
Qu, Chen; Liu, Hanchao
Springer International Publishing AG
10/2023
317
Dura
Inglês
9783031371950
15 a 20 dias
Descrição não disponível.
An Introduction to Machine Learning in Molecular Sciences.- Graph Neural Networks for Molecules.- Voxelized representations of atomic systems for machine learning applications.- Development of exchange-correlation functionals assisted by machine learning.- Machine-Learning for Static and Dynamic Electronic Structure Theory.- Data Quality, Data Sampling and Data Fitting: A Tutorial Guide for Constructing Full-dimensional Accurate Potential Energy Surfaces (PESs) of Molecules and Reactions.- Machine Learning Applications in Chemical Kinetics and Thermochemistry.- Synthesize in A Smart Way: A Brief Introduction to Intelligence and Automation in Organic Synthesis.- Machine Learning for Protein Engineering.
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
Machine Learning;Molecular Sciences;Deep Learning;Artificial Intelligence;Graph Neural Networks;Voxelized Representations;Electronic Structure Theory;Density Functional Theory;Potential Energy Surface;Chemical Kinetics;Organic Synthesis;Protein Engineering
An Introduction to Machine Learning in Molecular Sciences.- Graph Neural Networks for Molecules.- Voxelized representations of atomic systems for machine learning applications.- Development of exchange-correlation functionals assisted by machine learning.- Machine-Learning for Static and Dynamic Electronic Structure Theory.- Data Quality, Data Sampling and Data Fitting: A Tutorial Guide for Constructing Full-dimensional Accurate Potential Energy Surfaces (PESs) of Molecules and Reactions.- Machine Learning Applications in Chemical Kinetics and Thermochemistry.- Synthesize in A Smart Way: A Brief Introduction to Intelligence and Automation in Organic Synthesis.- Machine Learning for Protein Engineering.
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
