Davide Donadio

University of California, Davis — United States

Materials Science · Physical Sciences

52h-index29.8kcitations292works2.52yr avg
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Research Topics

Thermal properties of materials(81), Advanced Thermoelectric Materials and Devices(53), Spectroscopy and Quantum Chemical Studies(33), Graphene research and applications(28), nanoparticles nucleation surface interactions(26)

Publications292 total

Bridging the Gap: Using Machine Learning Force Fields to Simulate Gold Break Junctions at Pulling Speeds Closer to Experiments
ACS Nano·2025Open Access
Encapsulation of Ba in InSb Framework Introduces Chirality in Clathrate-Like BaIn <sub>4</sub> Sb <sub>4</sub>
Chemistry of Materials·2025
Pseudo-grand canonical molecular dynamics via volumetrically controlled osmotic pressure
The Journal of Chemical Physics·2025Open Access
Bridging the Gap: Using Machine Learning Force Fields to Simulate Gold Break Junctions at Pulling Speeds Closer to Experiments
2025· 1 citedOpen Access
Metastability and Ostwald step rule in the crystallisation of diamond and graphite from molten carbon
Nature Communications·2025· 5 citedOpen Access
High-pressure structural behavior of silicon telluride <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>Si</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>Te</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math> nanoplates
Physical review. B./Physical review. B·2025Open Access
Effects of colored disorder on the heat conductivity of SiGe alloys from first principles
Physical review. B./Physical review. B·2025· 6 citedOpen Access
Revealing the photochemical pathways of nitrate in water through first-principles simulations
The Journal of Chemical Physics·2025· 1 cited
Generative deep learning for predicting ultrahigh lattice thermal conductivity materials
npj Computational Materials·2025· 8 citedOpen Access
Probing the Limit of Heat Transfer in Inorganic Crystals with Deep Learning
arXiv (Cornell University)·2025Open Access
Shedding Light on Water Wires
Physics·2025
PLUMED Tutorials: A collaborative, community-driven learning ecosystem
The Journal of Chemical Physics·2025· 24 citedOpen Access
Metastability and Ostwald Step Rule in the Crystallisation of Diamond and Graphite from Molten Carbon
arXiv (Cornell University)·2025Open Access
Metastability and Ostwald Step Rule in the Crystallisation of Diamond and Graphite from Molten Carbon
2025· 1 citedOpen Access
Molecular Fingerprints of Ice Surfaces in Sum Frequency Generation Spectra: A First-Principles Machine Learning Study
JACS Au·2025· 7 citedOpen Access
Bridging the Gap: Using Machine Learning Force Fields to Simulate Gold Break Junctions at Pulling Speeds Closer to Experiments
2025Open Access
Heavy Solution for Molecular Thermal Management: Phonon Transport Suppression with Heavy Atoms
ACS Physical Chemistry Au·2025· 2 citedOpen Access
Bridging the Gap: Using Machine Learning Force Fields to Simulate Gold Break Junctions at Pulling Speeds Closer to Experiments
2025Open Access
pulling_gold_junctions
ioChem-BD Computational Chemistry Datasets·2025Open Access
nep
ioChem-BD Computational Chemistry Datasets·2025
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Frequent Co-authors

Michele Parrinello(13), Giulia Galli(12), Luiz Felipe C. Pereira(5), Roman Martoňák(5), Gabriele C. Sosso(4), Jörg Behler(4), Shiyun Xiong(4), Marco Bernasconi(4), Giovanni Bussi(3), Paolo Raiteri(3), Tianshu Li(3), Raffaello Potestio(3), Sanghamitra Neogi(3), Yuping He(3), Massimiliano Bonomi(2), Davide Branduardi(2), Carlo Camilloni(2), Davide Provasi(2), Fabrizio Marinelli(2), Fabio Pietrucci(2)