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6 results in Authors: Davide Donadio

Theoretical and Computational Chemistry

Thermodynamics of Water and Ice from a Fast and Scalable First-Principles Neuroevolution Potential

Zekun Chen, Margaret L. Berrens, Kam-Tung Chan, Zheyong Fan, Davide Donadio

Version 1 posted 18 October 2023

513

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Earth, Space, and Environmental Chemistry

Revealing the Photochemical Pathways of Nitrate in Water through First-Principles Simulations

Kam-Tung Chan, Margaret Berrens, Zekun Chen, C. William McCurdy, Cort Anastasio, Davide Donadio

Version 1 posted 03 January 2025

180

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Materials Science

A Heavy Solution for Molecular Thermal Management: Phonon Transport Suppression with Heavy Atoms

William Bro-Jørgensen, Andreas Juul Bay-Smidt, Davide Donadio, Gemma C. Solomon

Version 4 posted 01 October 2024

343

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The Stability and Dynamics of Zeolite-Confined Gold Nanoclusters

Siddharth Sonti, Chenghan Sun, Zekun Chen, Robert Kowalski, Joseph Kowalski, Davide Donadio, Surl-Hee Ahn, Ambarish Kulkarni

Version 2 posted 27 June 2024

803

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Earth, Space, and Environmental Chemistry

Solvation Structure and UV-Visible Absorption Spectra of the Nitrate Anion at the Air-Ice Interface by First Principles Molecular Simulations

Margaret Berrens, Zekun Chen, Kam Tung Chan, Cort Anastasio, Davide Donadio

Version 1 posted 11 August 2023

289

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Bridging the Gap: Using Machine Learning Force Fields to Simulate Gold Break Junctions at Pulling Speeds Closer to Experiments

William Bro-Jørgensen, Joseph M. Hamill, Davide Donadio, Gemma C. Solomon

Version 2 posted 23 January 2025

230

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