## Bio

I am currently a PhD student (2019–) at the Applied Physics & Applied Mathematics Department in Columbia University. I work as a graduate research assistant with Professor Renata Wentzcovitch.

I got my bachelor degree from Nanjing University (2013–2017), and master degree from Columbia University (2017–2018).

## Research Focus

My research interests lie broadly around the intersection of physics and computer science. My current research focuses on investigating physical properties of Earth-forming materials under finite pressure and temperature with *ab initio* calculation and deep-learning potential molecular dynamics.

### Hydrogen-bond disordering in δ-AlOOH

δ-AlOOH is a high-pressure mineral with a wide stability field. This study investigate the effect of pressure on the hydrogen-bond disorder in δ-AlOOH. Our study suggests the disorder and tunneling of those hydrogen bonds are connected with observed anormalies in earlier experimental and computational studies.

- C. Luo, K. Umemoto, and R. M. Wentzcovitch,
*Ab Initio Investigation of H-Bond Disordering in δ-AlOOH*, Phys. Rev. Research 4, 023223 (2022). [preprint]

### Molecular-dynamics simulations of hydrous phases based on deep-learning potential

Deep-learning potentials enable us to perform large-scale molecular dynamics on GPU-accelerated machines with *ab initio* acuracy. Using these advanced technique, we study various properties that are unique to these hydrous phases (ongoing).

### Thermoelasticity

This study introduces the `cij`

Python package. This package implements the SAM-*C _{ij}* formalism that computes the elastic properties of solids under mantle pressure and temperature.

- C. Luo, X. Deng, W. Wang, G. Shukla, Z. Wu, and R. M. Wentzcovitch,
*Cij: A Python Code for Quasiharmonic Thermoelasticity*, Computer Physics Communications 108067 (2021). [preprint]

### Third-order elastic constants

This study investigates the change in second-order elastic constants under induced stress / strain. Our results show the changes in second-order elastic constants are connected with third-order elastic constants and pressure derivative of second-order elastic constants.

- C. Luo, J. Tromp, and R. Wentzcovitch,
*Ab initio calculations of the third-order elastic coefficients*, (2022). [submitted] [preprint, poster]

### Physical properties of serpentine minerals

Serpentine is the most abundant water carrier in the Earth’s subducted slab. Lizardite, is a low-temperature variant of serpentine. The large anisotropy in lizardite, as shown in our study, could account for the observed SKS splitting in the trench.

- X. Deng, C. Luo, R. Wentzcovitch, G.A. Abers, Z. Wu,
*Elastic anisotropy of lizardite at subduction zone conditions*, Geophysical Research Letters (2022)

## Other work

**VLab’s Rock property calculator** Frontend for Abers & Hacker (2016)’s MATLAB code, as part of VLab’s website.

**Phase diagram calculator** The `phdg`

Python code computes phase diagram vs. pressure and temperature based on `qha`

’s Gibbs free enengy results.

**The qha code** The

`qha`

Python package employs the quasi-harmonic approximation (QHA) to compute the thermodynamic properties of crystalline materials at finite pressure and temperature.