Nanotheory
Davide Donadio's group at University of California - Davis
Davide Donadio's group at University of California - Davis
We perform molecular simulations of nonequilibrium processes, which range from pump-probe spectroscopy to thermal energy transport and conversion in complex systems. We combine traditional all-atom molecular dynamics, electronic structure theory, and rare events techniques, toward a comprehensive theoretical approach able to cover several time and length scales.
We are investigating the physicochemical properties of low-dimensional and van der Waals materials for applications in thermal management, thermoelectricity, energy storage, water splitting and spintronics.
We are developing new theory and algorithms to model thermal transport in complex systems. We address the details of phonon transport at the nanoscale to design novel nanophononic devices and nanomaterials with tailored thermal conductivity
We use multi-scale modeling to characterize the structural, vibrational and electronic properties of the surface of ice and its effects on environmentally relevant chemical reactions such as nitrate photodissociation.
We are developing and deploying numerical tools to simulate pump-probe vibrational spectra of liquids, providing a compelling molecular interpretation of experiments
First-principles molecular dynamics simulations based on density functional theory help provide molecular insight into the composition of geological fluids at deep Earth thermodynamic conditions, which impact mineral growth and dissolution
We are studying water adsorption-desorption in nano-porous materials, aiming to design efficient, low-cost and environmentally friendly sustainable drying materials for agriculture and food preservation
Group Leader
Postdoctoral Researcher
Graduate Student Researcher
Graduate Student Researcher
Graduate Student Researcher
Graduate Student Researcher
Graduate Student Researcher
Graduate Student Researcher
Graduate Student Researcher
| Raymond Lacobacci | Aarion Wong | Shawn Antoo |
Most recent publications
FT Cerasoli, D Donadio - Journal of Chemical Physics
ML Berrens, A Kundu, MF Calegari Andrade, TA Pham, G Galli, D Donadio - Journal of Physical Chemistry Letters
A Wannenmacher, W Lu, C Amarasinghe, F Cerasoli, D Donadio, M Ahmed - Journal of Chemical Physics
Z Chen, ML Berrens, KT Chan, Z Fan, D Donadio - Journal of Chemical and Engineering Data
ML Berrens, Z Chen, KT Chan, C Anastasio, D Donadio - ACS Earth and Space Chemistry
P Yox, F Cerasoli, A Sarkar, V Kyveryga, G Viswanathan, D Donadio, K Kovnir - Journal of the American Chemical Society
ML Berrens, FC Bononi, D Donadio - Physical Chemistry Chemical Physics
Z Chen, FC Bononi, C Sievers, WY Kong, D Donadio - Journal of Chemical Theory and Computation
A Sarkar, G Viswanathan, P Yox, S Harycki, FT Cerasoli, J Wang, FA Perras, A Gundlach-Graham, D Donadio, K Kovnir - Applied Physics Letters
T Hullar, T Tran, Z Chen, FC Bononi, O Palmer, D Donadio, C Anastasio - Atmospheric Chemistry and Physics
J Yang, R Dettori, JPF Nunes, N List, E Biasin, M Centurion, Z Chen, AA Cordones, D Deponte, T Heinz, M Kozina, K Ledbetter, M Lin, AM Lindberg, M Mo, A Nilsson, X Shen, T Wolf, D Donadio, K Gaffney, T Martinez, X Wang - Nature
H Wang, Y Cheng, M Nomura, S Volz, D Donadio, X Zhang, S Xiong - Physical Review B
NW Lundgren, G Barbalinardo, D Donadio - Physical Review B
FC Bononi, Z Chen, D Rocca, O Andreussi, T Hullar, C Anastasio, D Donadio - The Journal of Physical Chemistry A
G Barbalinardo, Z Chen, NW Lundgren, D Donadio - Journal of Applied Physics
S Chen, V Johnson, B Moser, D Williams, D Donadio, K Koski - The Journal of Chemical Physics
P Ferrando-Villalba, S Chen, AF Lopeandía, FX Alvarez, MI Alonso, M Garriga, J Santiso, G Garcia, A Goñi, D Donadio, J Rodriguez-Viejo - The Journal of Physical Chemistry C
S Neogi, D Donadio - Physical Review Applied
C Mangold, S Chen, G Barbalinardo, J Behler, P Pochet, K Termentzidis, Y Han, L Chaput, D Lacroix, D Donadio - Journal of Applied Physics
B Owens-Baird, J Wang, SG Wang, YS Chen, S Lee, D Donadio, K Kovnir - Journal of the American Chemical Society
T Hullar, FC Bononi, Z Chen, D Magadia, O Palmer, T Tran, D Rocca, O Andreussi, D Donadio, C Anastasio - Environmental Science: Processes & Impacts
D Donadio - Handbook of Materials Modeling: Applications: Current and Emerging Materials
R Dettori, D Donadio - Physical Chemistry Chemical Physics
T Zhou, Z Li, Y Cheng, Y Ni, S Volz, D Donadio, S Xiong, W Zhang, X Zhang - Physical Chemistry Chemical Physics
A He, S Bux, Y Hu, D Uhl, L Li, D Donadio, S Kauzlarich - Chemistry of Materials
R Dettori, M Ceriotti, J Hunger, L Colombo, D Donadio - The Journal of Physical Chemistry Letters
D Donadio - Current Opinion in Green and Sustainable Chemistry
Z Li, S Xiong, C Sievers, Y Hu, Z Fan, N Wei, H Bao, S Chen, D Donadio, T Ala-Nissila - The Journal of Chemical Physics
L Isaeva, G Barbalinardo, D Donadio, S Baroni - Nature Communications
Miguel Muñoz Rojo, Zuanyi Li, Charles Sievers, Alex C Bornstein, Eilam Yalon, Sanchit Deshmukh, Sam Vaziri, Myung-Ho Bae, Feng Xiong, Davide Donadio - 2D Materials, Volume 6, Number 1
For more information, contact us using the form here. If you want to stop by, we are located in the Department of Chemistry. University of California Davis, One Shields Ave. Davis, 95616, CA.
Our group is multidisciplinary with members and alumni from Physics, Applied Physics, Physical, Inorganic, and Organic Chemistry, Electrical Engineering, Chemical Engineering, Materials Science, and Bioengineering. The group atmosphere is very friendly, cooperative, and motivated. Our group is accepting applications, but we are currently impacted.