Skip to content
DraconiticResearch
Search Sources API
178,970 studies31 sourcesUpdated 31 min ago
PreprintLicence not statedChemRxiv

Reference Conventions and Structure Types, Rather Than 4f Occupancy, Shape Lanthanide Errors in Universal Machine-Learning Interatomic Potentials

  • Jungko Moni Chakma1,2
  • Md. Mynul Hasan1,2
  • Mohammad Asaduzzaman Chowdhury1,2
  1. 1Department of Mechanical Engineering
  2. 2Dhaka University of Engineering and Technology (DUET
Open at sourceDOICite

Related

  1. Reference-free certification of machine-learning interatomic potentials
    Jonas Hänseroth, Christian Dreßler
    arXivPreprintarXiv licenceFull textPhysical chemistryCondensed matterarXiv
  2. Correcting the Liquid Densities of Universal Machine-Learning Interatomic Potentials Using Local-Number-Density Repulsion
    Shunsuke Mieda
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  3. Foundation interatomic potentials learn the practical chemistry they were never taught
    Alexander A. Kolganov, Mas P. Klein, Evgeny A. Pidko
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  4. pdb2reaction: End-to-End Reaction-Path Elucidation from PDB Structures Using Machine-Learning Interatomic Potentials
    Takuto Ohmura, Hajime Sato, Tohru Terada
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  5. Why Multi-Layer Message Passing Works: Completeness Theory for Graph Neural Network Interatomic Potentials
    Pingbing Ming, Han Wang
    arXivPreprintCC BY-NC-SA 4.0Full textPhysical chemistryMathematical physicsarXiv

Cite

BibTeXRIS
BibTeX
@misc{chakma2026reference,
  title = {{Reference Conventions and Structure Types, Rather Than 4f Occupancy, Shape Lanthanide Errors in Universal Machine-Learning Interatomic Potentials}},
  author = {Jungko Moni Chakma and Md. Mynul Hasan and Mohammad Asaduzzaman Chowdhury},
  howpublished = {ChemRxiv},
  year = {2026},
  month = oct,
  doi = {10.26434/chemrxiv.15011235/v1},
  url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011235/v1},
}
RIS
TY  - UNPB
TI  - Reference Conventions and Structure Types, Rather Than 4f Occupancy, Shape Lanthanide Errors in Universal Machine-Learning Interatomic Potentials
AU  - Jungko Moni Chakma
AU  - Md. Mynul Hasan
AU  - Mohammad Asaduzzaman Chowdhury
PY  - 2026
DA  - 2026/10/29
PB  - ChemRxiv
DO  - 10.26434/chemrxiv.15011235/v1
UR  - https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011235/v1
ER  -