Alternative Approach to Chemical Accuracy: A Neural Networks-Based First-Principles Method for Heat of Formation of Molecules Made of H, C, N, O, F, S, and Cl-Reference-Cited by-同舟云学术

Alternative Approach to Chemical Accuracy: A Neural Networks-Based First-Principles Method for Heat of Formation of Molecules Made of H, C, N, O, F, S, and Cl

Published:2014-07-11 Issue:39 Volume:118 Page:9120-9131
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Sun Jian¹,Wu Jiang¹,Song Tao¹,Hu LiHong²,Shan KaiLu¹,Chen GuanHua¹

Affiliation:

1. Department of Chemistry, The University of Hong Kong, Hong Kong, China

2. School of Computer Science and Information Technology, Northeast Normal University, Changchun, Jilin, China

Funder

Research Grants Council, University Grants Committee, Hong Kong

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp502096y

Reference47 articles.

1. Methods of Electronic Structure Theory

2. Molecular Electronics

3. The high-throughput highway to computational materials design

Cited by 36 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. Predictions of photophysical properties of phosphorescent platinum(II) complexes based on ensemble machine learning approach;Journal of Computational Chemistry;2023-10-20

2. Construct exchange-correlation functional via machine learning;The Journal of Chemical Physics;2023-09-06

3. Accurate Prediction of Adiabatic Ionization Potentials of Organic Molecules using Quantum Chemistry Assisted Machine Learning;The Journal of Physical Chemistry A;2023-07-05

4. A semilocal machine-learning correction to density functional approximations;The Journal of Chemical Physics;2023-04-19

5. Redesigning density functional theory with machine learning;Quantum Chemistry in the Age of Machine Learning;2023