Skip to content
DraconiticResearch
Search Sources API
197,787 studies31 sourcesUpdated 51 min ago
PreprintLicence not statedChemRxiv

Training of Neural Network Machine Learning Potentials for Activation Barrier Calculations in Predicting Growth Modes of Deposited Metals

  1. 1Tyndall National Institute, University College Cork, Lee Maltings, Dyke Parade, Ireland

Related

  1. Predicting the photovoltaic and optoelectronic potentials of eco-friendly kesterites Ag2PdMX4 (M = Sn, Ge; X = S, Se) through first-principles calculations
    Ihsan Ullah, Numan Khan, Eman Aldosari +3
    RSC advancesPeer-reviewedCC BY-NCFull textGeneral chemistryEurope PMCPMC
  2. Reply to Comment on "Efficient implementation of the superposition of atomic potentials initial guess for electronic structure calculations in Gaussian basis sets"
    Susi Lehtola, Lucas Visscher, Eberhard Engel
    arXivPreprintarXiv licenceFull textPhysical chemistryarXiv
  3. Exchange-Correlation Potentials and Energies from Inverse Generalized Kohn-Sham Calculations
    Vishal Subramanian, Bikash Kanungo, Vaibhav Khanna +2
    arXivPreprintCC BY 4.0Full textPhysical chemistryComputational physicsarXiv
  4. Predicting Thermophysical Properties of Halide Salts Using On-the-Fly Machine-Learned Interatomic Potentials Across Multiple Exchange-Correlation Functionals
    Pritam Rudra, Sudarshan Vijay, Ojus Mohan +1
    ChemRxivPreprintCC BYFull textMaterials & polymersChemRxiv
  5. Predicting CYP450 Induction and PXR Activation with Machine Learning Approaches: Challenges and Opportunities
    Markus Orsi, Anton Thieme, Matteo Gätzner +7
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
BibTeX
@misc{ronnby2026training,
  title = {{Training of Neural Network Machine Learning Potentials for Activation Barrier Calculations in Predicting Growth Modes of Deposited Metals}},
  author = {Karl Rönnby and Cara-Lena Nies and Savannah May Timony and Michael Nolan and Nolan Michael},
  howpublished = {ChemRxiv},
  year = {2026},
  month = nov,
  doi = {10.26434/chemrxiv.15011790/v1},
  url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011790/v1},
}
RIS
TY  - UNPB
TI  - Training of Neural Network Machine Learning Potentials for Activation Barrier Calculations in Predicting Growth Modes of Deposited Metals
AU  - Karl Rönnby
AU  - Cara-Lena Nies
AU  - Savannah May Timony
AU  - Michael Nolan
AU  - Nolan Michael
PY  - 2026
DA  - 2026/11/06
PB  - ChemRxiv
DO  - 10.26434/chemrxiv.15011790/v1
UR  - https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011790/v1
ER  -