PreprintLicence not statedChemRxiv2 Nov 2026

Formation Energy is All You Need

Frederik L. Johansen^1,2
Olivia Westhead^1,2
George Balamotis³
Jiaze Sun^4,5
Jan Goran T. Tomacruz^1,2,6,7,8
Ifan E. L. Stephens^4,5
Suzanne Zamany Andersen³
Mattia Saccoccio³
Soren B. Scott^1,2

8 affiliations

¹Department of Chemistry
²University of Copenhagen
³NitroVolt ApS
⁴Department of Materials
⁵Imperial College London
⁶University of Chinese Academy of Sciences
⁷Laboratory of Electrochemical Engineering, Department of Chemical Engineering
⁸University of the Philippines Diliman

Open at source DOI Cite

Electronic Descriptors Lower Oxygen-Vacancy Formation-Energy Error Relative to Crystal Structure Alone in Non-Magnetic Oxides
Palaash Gang, Aiden Lee, Qi Wu
ChemRxiv29 Oct 2026PreprintLicence not statedGeneral chemistryChemRxiv
Ordered-to-disordered transfer learning with graph neural networks for formation-energy and HOMO-LUMO gap prediction in high-entropy perovskite oxides
Panupol Untarabut, Narjes Jomaa, Sylvian Cadars +4
HAL31 Jul 2026PreprintCC BY 4.0Full textGeneral chemistryHAL
Nonequilibrium Navigation of a Rugged Energy Landscape Enables the Formation of Face-On Single-Domain Dodecagonal Quasicrystals.
Mayumi Egashira, Jing-Wei Chen, Mao-Yan Wang +4
Journal of the American Chemical Society30 Sep 2026Peer-reviewedCC BYFull textMaterials & polymersEurope PMCPMC
A Machine-Learned Interatomic Potential Free-Energy Surface for the First Step of MIL-101(Cr) Secondary Building Unit Formation
Orlando A. Mendible-Barreto, Yamil J. Colón
arXiv29 Sep 2026PreprintCC BY 4.0Full textPhysical chemistry Atomic, molecular & optical physicsarXiv
Colour-Stable When Heated, Colour-Shifting When Excited: Deep-Blue TADF Hosts Need Vector, Not Scalar, Screening
Manmohan Dash, M. N. Satyanarayan
ChemRxiv2 Nov 2026PreprintLicence not statedGeneral chemistryChemRxiv

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BibTeX RIS

BibTeX

@misc{johansen2026formation,
  title = {{Formation Energy is All You Need}},
  author = {Frederik L. Johansen and Olivia Westhead and George Balamotis and Jiaze Sun and Jan Goran T. Tomacruz and Ifan E. L. Stephens and Suzanne Zamany Andersen and Mattia Saccoccio and Soren B. Scott},
  howpublished = {ChemRxiv},
  year = {2026},
  month = nov,
  doi = {10.26434/chemrxiv.15011494/v1},
  url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011494/v1},
}

RIS

TY  - UNPB
TI  - Formation Energy is All You Need
AU  - Frederik L. Johansen
AU  - Olivia Westhead
AU  - George Balamotis
AU  - Jiaze Sun
AU  - Jan Goran T. Tomacruz
AU  - Ifan E. L. Stephens
AU  - Suzanne Zamany Andersen
AU  - Mattia Saccoccio
AU  - Soren B. Scott
PY  - 2026
DA  - 2026/11/02
PB  - ChemRxiv
DO  - 10.26434/chemrxiv.15011494/v1
UR  - https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011494/v1
ER  -

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