Connecting atomic behavior to planetary properties — powered by AI

 

My research currently focuses on developing and applying high-accuracy, large-scale, machine-learning-based molecular dynamics simulations, which are grounded in fundamental quantum mechanical principles, to study chemical reactions and isotope effects during the accretion and early evolution of Earth and other planets, including exoplanets. By revealing how elements and isotopes behave during key processes (such as core formation, atmosphere–mantle–core interaction, magma ocean solidification, and inner core growth...) and combining these results with planetary numerical modeling, my work provides new insights and constraints on the formation, evolution, and habitability of Earth, solar system planets, and exoplanets.

 

Actively recruiting undergraduates, graduate students, and postdocs to join our group at Nanjing University

 

 

Appointments

2025.12 - now      Associate professor Nanjing University

2023.1 - 2025.10   Postdoctoral research associate Princeton University

2021.7 - 2022.12   Research fellow University College London

 

Education

2017.8 - 2021.6   Ph.D. Louisiana State University

2014.9 - 2017.6   M.S. Institute of Geochemistry, Chinese Academy of Science

2009.9 - 2013.6   B.S. Southwestern University of Finance and Economics

 

Publications

First-author/Corresponding-author:

10）Luo H.Y.*, Zheng D.H., Deng J., 2025. Earth’s core-mantle differentiation shaped by water. Science Advances.

9）Luo H.Y.* and Deng J., 2025. Thermophysical states of MgSiO3 liquid up to terapascal pressures: Implications for magma oceans in super-Earths and sub-Neptunes. Journal of Geophysical Research: Planets

8）Luo H.Y.*, O’Rourke J.G., Deng J., 2024. Radiogenic heating sustains long-lived volcanism and magnetic dynamos in super-Earths. Science Advances.

7）Luo H.Y.*, Dorn C., Deng J., 2024. The Interior as the dominant water reservoir in super-Earths and sub-Neptunes. Nature Astronomy.

6）Luo H.Y.*, Vočadlo L., Brodholt J., 2024. Iron isotope fractionation between metal and silicate during core-mantle differentiation in rocky bodies. Geochimica et cosmochimica Acta 379, 184-192

5）Luo H.Y.*, Karki B.B., Ghosh D.B, Bao H.M., 2021. Diffusional fractionation of helium isotopes in silicate melts. Geochemical Perspective Letters 19, 19-22

4）Luo H.Y.*, Karki B.B., Ghosh D.B, Bao H.M., 2021. Anomalous behavior of viscosity and electrical conductivity of MgSiO3 melts at mantle conditions. Geophysical Research Letters

3）Luo H.Y.*, Karki B.B., Ghosh D.B, Bao H.M., 2021. Deep neural network potentials for diffusional lithium isotope fractionation in silicate melts. Geochimica et cosmochimica Acta 303, 38-50

2）Luo H.Y.*, Karki B.B., Ghosh D.B, Bao H.M., 2020. First-principles computation of diffusional Mg isotope fractionation in silicate melts. Geochimica et cosmochimica Acta 290, 27-40

1）Luo H.Y.*, Bao H.M., Yang Y.H., Liu Y., 2018. Theoretical calculation of equilibrium Mg isotope fractionation between silicate melt and its vapor. Acta Geochimica 37, 655-662

 

Co-author:

3）Guan S.D., Luo H.Y., Du Z.X., Deng J., Wang Y., 2025. Ab initio simulations on metal-silicate partitioning of phosphrous during Earth's core formation. Geochimica et cosmochimica Acta 411, 39-49

2）Zhang Z.T., Luo H.Y., Hao M. Deng J., 2025.Regimes of element transfer between Earth’s core and basal magma ocean.Journal of Geophysical Research: Solid Earth

1） Yu W., Yan H., …, Luo H.Y., …. 2025. The inventory of OH and H2O in the non-polar regions of the Moon. Earth and Planetary Science Letters.