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D

Davide Donadio

University of California

52H-index
293Paper Count
3.0WCitation Count
Published Papers 105
Publication Date
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κALDo 2.0: Scalable thermal transport from first principles and machine learning potentials
errComputer Physics Communications
IF3.4
err2026-06-23
err0
PREAI
errGiuseppe Barbalinardo; Zekun Chen; Dylan A. Folkner; Bohan Li; Nicholas W. Lundgren; Nathaniel Troup; Alfredo Fiorentino; Davide Donadio
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errSave
Bridging the Gap: Using Machine Learning Force Fields to Simulate Gold Break Junctions at Pulling Speeds Closer to Experiments
errACS NANO
IF16
err2025-11-01
err0
PREAI
errBro-Jorgensen, William; Hamill, Joseph M.; Donadio, Davide; Solomon, Gemma C.
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errSave
Encapsulation of Ba in InSb Framework Introduces Chirality in Clathrate-Like BaIn4Sb4
errCHEMISTRY OF MATERIALS
IF7
err2025-10-01
err0
PREAI
errAmobi, Genevieve; Cerasoli, Frank; Sarkar, Arka; Viswanathan, Gayatri; Abusa, Yao; Donadio, Davide; Kovnir, Kirill
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errSave
Oxygen vacancy-induced ferroelectric effect in (111) strontium titanate single crystals controls photoelectrochemical water oxidation
errEES CATALYSIS
IF8.1
err2025-09-01
err0
errOAAI
errAssavachin, Samutr; Xiao, Chengcan; Vahdatvasei, Hamed; Mamani, Tatiana; Donadio, Davide; Osterloh, Frank E.
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errSave
Metastability and Ostwald step rule in the crystallisation of diamond and graphite from molten carbon
errNature Communications
IF15.7
err2025-07-09
err0
errOAAI
errDavide Donadio; Margaret L. Berrens; Wanyu Zhao; Shunda Chen; Tianshu Li
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errSave
PLUMED Tutorials: A collaborative, community-driven learning ecosystem
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-03-07
err1
PREAI
errTribello, Gareth A.; Bonomi, Massimiliano; Bussi, Giovanni; Camilloni, Carlo; Armstrong, Blake I.; Arsiccio, Andrea; Aureli, Simone; Ballabio, Federico; Bernetti, Mattia; Bonati, Luigi; Brookes, Samuel G. H.; Brotzakis, Z. Faidon; Capelli, Riccardo; Ceriotti, Michele; Chan, Kam-Tung; Cossio, Pilar; Dasetty, Siva; Donadio, Davide; Ensing, Bernd; Ferguson, Andrew L.; Fraux, Guillaume; Gale, Julian D.; Gervasio, Francesco Luigi; Giorgino, Toni; Herringer, Nicholas S. M.; Hocky, Glen M.; Hoff, Samuel E.; Invernizzi, Michele; Languin-Cattoen, Olivier; Leone, Vanessa; Limongelli, Vittorio; Lopez-Acevedo, Olga; Marinelli, Fabrizio; Febrer Martinez, Pedro; Masetti, Matteo; Mehdi, Shams; Michaelides, Angelos; Murtada, Mhd Hussein; Parrinello, Michele; Piaggi, Pablo M.; Pietropaolo, Adriana; Pietrucci, Fabio; Pipolo, Silvio; Pritchard, Claire; Raiteri, Paolo; Raniolo, Stefano; Rapetti, Daniele; Rizzi, Valerio; Rydzewski, Jakub; Salvalaglio, Matteo; Schran, Christoph; Seal, Aniruddha; Shayesteh Zadeh, Armin; Silva, Tomas F. D.; Spiwok, Vojtech; Stirnemann, Guillaume; Sucerquia, Daniel; Tiwary, Pratyush; Valsson, Omar; Vendruscolo, Michele; Voth, Gregory A.; White, Andrew D.; Wu, Jiangbo
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errSave
Molecular Fingerprints of Ice Surfaces in Sum Frequency Generation Spectra: A First-Principles Machine Learning Study
errJACS AU
IF8.7
err2025-02-07
err0
errOAAI
errBerrens, Margaret L.; Andrade, Marcos F. Calegari; Fourkas, John T.; Pham, Tuan Anh; Donadio, Davide
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errSave
Heavy Solution for Molecular Thermal Management: Phonon Transport Suppression with Heavy Atoms
errACS PHYSICAL CHEMISTRY AU
IF4.3
err2025-01-22
err0
errOAAI
errBro-Jorgensen, William; Bay-Smidt, Andreas Juul; Donadio, Davide; Solomon, Gemma C.
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errSave
Quantum Simulations of Radiation Damage in a Molecular Polyethylene Analog
errMACROMOLECULAR RAPID COMMUNICATIONS
IF4.3
err2024-10-22
err0
errOAAI
errTroup, Nathaniel; Kroonblawd, Matthew P.; Donadio, Davide; Goldman, Nir
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errSave
Stability and Dynamics of Zeolite-Confined Gold Nanoclusters
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-09-12
err0
errOAAI
errSonti, Siddharth; Sun, Chenghan; Chen, Zekun; Kowalski, Robert Michael; Kowalski, Joseph S.; Donadio, Davide; Ahn, Surl-Hee; Kulkarni, Ambarish R.
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Effective optimization of atomic decoration in giant and superstructurally ordered crystals with machine learning
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-07-22
err2
errOAAI
errCerasoli, Frank T.; Donadio, Davide
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errSave
ABa6Cu31Te22 (A = K, Rb, Cs) Featuring Polyanionic Copper-Telluride Frameworks with Ultralow Thermal Conductivity
errACS APPLIED MATERIALS & INTERFACES
IF8.2
err2024-07-16
err0
PREAI
errSarkar, Arka; Cerasoli, Frank T.; Viswanathan, Gayatri; Donadio, Davide; Kovnir, Kirill
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errSave
Organizing Chaos: Boosting Thermoelectric Properties by Ordering the Clathrate Framework of Ba8Cu16As30
errCHEMISTRY OF MATERIALS
IF7
err2024-04-12
err1
PREAI
errYox, Philip; Cerasoli, Frank T.; Sarkar, Arka; Amobi, Genevieve; Viswanathan, Gayatri; Voyles, Jackson; Lebedev, Oleg l.; Donadio, Davide; Kovnir, Kirill
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An experimental and computational view of the photoionization of diol-water clusters
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-04-09
err1
errOAAI
errWannenmacher, Anna; Lu, Wenchao; Amarasinghe, Chandika; Cerasoli, Frank; Donadio, Davide; Ahmed, Musahid
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errSave
Non-Fourier heat transport in nanosystems
errRIVISTA DEL NUOVO CIMENTO
IF7.4
err2023-03-03
err24
errOAAI
errBenenti, Giuliano; Donadio, Davide; Lepri, Stefano; Livi, Roberto
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New Trick for an Old Dog: From Prediction to Properties of Hidden Clathrates Ba2Zn5As6 and Ba2Zn5Sb6
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2023-02-14
err6
PREAI
errYox, Philip; Cerasoli, Frank; Sarkar, Arka; Kyveryga, Victoria; Viswanathan, Gayatri; Donadio, Davide; Kovnir, Kirill
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errSave
UV-Visible Absorption Spectra of Solvated Molecules by Quantum Chemical Machine Learning
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-08-01
err9
errOAAI
errChen, Zekun; Bononi, Fernanda C.; Sievers, Charles A.; Kong, Wang-Yeuk; Donadio, Davide
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errSave
Effect of crystallinity and thickness on thermal transport in layered PtSe2
errNPJ 2D MATERIALS AND APPLICATIONS
IF8.8
err2022-05-23
err16
errOAAI
errEl Sachat, Alexandros; Xiao, Peng; Donadio, Davide; Bonell, Frederic; Sledzinska, Marianna; Marty, Alain; Vergnaud, Celine; Boukari, Herve; Jamet, Matthieu; Arregui, Guillermo; Chen, Zekun; Alzina, Francesc; Torres, Clivia M. Sotomayor; Chavez-Angel, Emigdio
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Evolution of structure and transport properties of the Ba8Cu16P30 clathrate-I framework with the introduction of Ga
errAPPLIED PHYSICS LETTERS
IF3.6
err2022-05-10
err7
errOAAI
errSarkar, Arka; Viswanathan, Gayatri; Yox, Philip; Harycki, Stasia; Cerasoli, Frank T.; Wang, Jian; Perras, Frederic A.; Gundlach-Graham, Alexander; Donadio, Davide; Kovnir, Kirill
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Enhanced photodegradation of dimethoxybenzene isomers in/on ice compared to in aqueous solution
errATMOSPHERIC CHEMISTRY AND PHYSICS
IF5.1
err2022-05-05
err4
errOAAI
errHullar, Ted; Tran, Theo; Chen, Zekun; Bononi, Fernanda; Palmer, Oliver; Donadio, Davide; Anastasio, Cort
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Research Directions

No research directions
Co-authors
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