Machine Learning and Energy Minimization Approaches for Crystal Structure Predictions: A Review and New Horizons

Graser Jake; Kauwe Steven K.; Sparks Taylor D.

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Machine Learning and Energy Minimization Approaches for Crystal Structure Predictions: A Review and New Horizons

机译：水晶结构预测的机器学习和能量最小化方法：审查和新的视野

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《Chemistry of Materials: A Publication of the American Chemistry Society》 |2018年第11期|共12页
作者
Graser Jake; Kauwe Steven K.; Sparks Taylor D.;
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作者单位

Univ Utah Dept Mat Sci &

Engn Salt Lake City UT 84112 USA;

Univ Utah Dept Mat Sci &

Engn Salt Lake City UT 84112 USA;

Univ Utah Dept Mat Sci &

Engn Salt Lake City UT 84112 USA;

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正文语种 eng
中图分类工程材料学;
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1. Machine Learning and Energy Minimization Approaches for Crystal Structure Predictions: A Review and New Horizons [J] . Graser Jake, Kauwe Steven K., Sparks Taylor D. Chemistry of Materials: A Publication of the American Chemistry Society . 2018,第11期

机译：水晶结构预测的机器学习和能量最小化方法：审查和新的视野
2. Ab Initio Crystal structure Predictions for Flexible Hydrogen-Bonded Molecules. Part II. Accurate Energy Minimization [J] . Bouke P.Van Eijck, Wijnand T.M.Mooij, Jan Kroon Journal of Computational Chemistry: Organic, Inorganic, Physical, Biological . 2001,第8期

机译：从头算的氢键分子的晶体结构预测。第二部分精确的能量最小化
3. Machine learning-based prediction models for formation energies of interstitial atoms in HCP crystals [J] . Scripta materialia . 2020,第期

机译：基于机器学习的预测模型，用于HCP晶体中间质原子的形成能量
4. Machine Learning-Based Approaches for Location Based Dengue Prediction: Review [C] . Chamalka Seneviratne Kalansuriya, Achala Chathuranga Aponso, Artie Basukoski International Congress on Information and Communication Technology . 2020

机译：基于机器基于位置的登革热预测方法：综述
5. DFT Study of the Complex Diffusion of Oxygen in Cobalt & Machine Learning of ab-initio Energy Landscapes for Crystal Structure Predictions [D] . Honrao, Shreyas Jaikumar. 2019

机译：AB-Initio能量景观氧气和机器学习复杂扩散的DFT研究晶体结构预测
6. Machine learning for the structure–energy–property landscapes of molecular crystals [O] . Félix Musil, Sandip De, Jack Yang, 2018

机译：分子晶体的结构-能量-性质景观的机器学习
7. Assessment of lattice energy minimization for the prediction of molecular organic crystal structures [O] . Graeme M. Day, James Chisholm, Ning Shan, 2004

机译：评估晶格能量最小化以预测分子有机晶体结构

Machine Learning and Energy Minimization Approaches for Crystal Structure Predictions: A Review and New Horizons

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