Predicting Enthalpy of Formation of Energetic Compounds by Machine Learning: Comparison of Featurization Methods and Algorithms
Author:
Affiliation:
1. School of Material Science and Engineering Southwest University of Science and Technology Mianyang 621010 China.
2. Institute of Chemical Materials China Academy of Engineering Physics (CAEP) Mianyang 621999 China
Funder
National Natural Science Foundation of China
China Postdoctoral Science Foundation
Publisher
Wiley
Subject
General Chemical Engineering,General Chemistry
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/prep.202200236
Reference29 articles.
1. Determination of enthalpies of formation of energetic molecules with composite quantum chemical methods
2. Enthalpy of Formation of p(BAMO)‐b‐GAP and Energetic Characteristics of Solid Propellants Based on the Copolymer
3. Predicting heats of formation of energetic materials using quantum mechanical calculations
4. A review of quantum chemical methods for treating energetic molecules
5. Machine learning in materials genome initiative: A review
Cited by 6 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献
1. A study of thermal and safety behaviour of potassium nitrate in flash powder after surface modification for prevention of self-decomposition due to hygroscopic effect;Journal of Thermal Analysis and Calorimetry;2024-05-23
2. Modulation of ADN Crystal Surface Properties by Additives;Industrial & Engineering Chemistry Research;2024-02-15
3. Research progress on the catalytic and thermal decomposition of ammonium dinitramide (ADN);RSC Advances;2024
4. Predicting the enthalpy of formation of energetic molecules via conventional machine learning and GNN;Physical Chemistry Chemical Physics;2024
5. Insight into thermal decomposition behavior of ammonium dinitramide‐based liquid propellant through reactive molecular dynamics simulations;Propellants, Explosives, Pyrotechnics;2023-10-19
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3