ResearchTrend.AI
  • Communities
  • Connect sessions
  • AI calendar
  • Organizations
  • Join Slack
  • Contact Sales
Papers
Communities
Social Events
Terms and Conditions
Pricing
Contact Sales
Parameter LabParameter LabTwitterGitHubLinkedInBlueskyYoutube

© 2026 ResearchTrend.AI, All rights reserved.

  1. Home
  2. Papers
  3. 1906.03233
  4. Cited By
Machine Learning Prediction of Accurate Atomization Energies of Organic
  Molecules from Low-Fidelity Quantum Chemical Calculations

Machine Learning Prediction of Accurate Atomization Energies of Organic Molecules from Low-Fidelity Quantum Chemical Calculations

MRS Communications (MRS Commun.), 2019
7 June 2019
Logan T. Ward
Ben Blaiszik
Ian Foster
R. Assary
B. Narayanan
L. Curtiss
    AI4CE
ArXiv (abs)PDFHTML

Papers citing "Machine Learning Prediction of Accurate Atomization Energies of Organic Molecules from Low-Fidelity Quantum Chemical Calculations"

7 / 7 papers shown
14 Examples of How LLMs Can Transform Materials Science and Chemistry: A
  Reflection on a Large Language Model Hackathon
14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model HackathonDigital Discovery (DD), 2023
Kevin Maik Jablonka
Qianxiang Ai
Alexander H Al-Feghali
S. Badhwar
Joshua D. Bocarsly Andres M Bran
...
Aristana Scourtas
K. J. Schmidt
Ian Foster
Andrew D. White
Ben Blaiszik
505
151
0
09 Jun 2023
Discovery of structure-property relations for molecules via
  hypothesis-driven active learning over the chemical space
Discovery of structure-property relations for molecules via hypothesis-driven active learning over the chemical spaceAPL Machine Learning (AML), 2023
Ayana Ghosh
Sergei V. Kalinin
M. Ziatdinov
201
11
0
06 Jan 2023
Prediction of the electron density of states for crystalline compounds
  with Atomistic Line Graph Neural Networks (ALIGNN)
Prediction of the electron density of states for crystalline compounds with Atomistic Line Graph Neural Networks (ALIGNN)
Prathik R. Kaundinya
K. Choudhary
S. Kalidindi
137
35
0
20 Jan 2022
Advances in Machine and Deep Learning for Modeling and Real-time
  Detection of Multi-Messenger Sources
Advances in Machine and Deep Learning for Modeling and Real-time Detection of Multi-Messenger Sources
Eliu A. Huerta
Zhizhen Zhao
301
22
0
13 May 2021
Machine learning for electronically excited states of molecules
Machine learning for electronically excited states of moleculesChemical Reviews (Chem. Rev.), 2020
Julia Westermayr
P. Marquetand
220
302
0
10 Jul 2020
Machine learning and excited-state molecular dynamics
Machine learning and excited-state molecular dynamics
Julia Westermayr
P. Marquetand
AI4CE
203
62
0
28 May 2020
Convergence of Artificial Intelligence and High Performance Computing on
  NSF-supported Cyberinfrastructure
Convergence of Artificial Intelligence and High Performance Computing on NSF-supported CyberinfrastructureJournal of Big Data (J Big Data), 2020
Eliu A. Huerta
Asad Khan
Edward Davis
Colleen Bushell
W. Gropp
...
S. Koric
William T. C. Kramer
Brendan McGinty
Kenton McHenry
Aaron Saxton
AI4CE
210
54
0
18 Mar 2020
1
Page 1 of 1