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I have been conducting research for over seven years, with my interests spanning a wide range of topics, including 1.high-throughput calculations, 2.machine learning for materials science, 3.lattice dynamics, 4.transport phenomena involving phonons/diffusons (heat), 5.ions (batteries), and 6.electrons (Quantum defect and thermoelectrics), as well as 7.thermodynamics for gas turbine and 8.radiative cooling applications.
If you have any specific questions about these topics or are interested in collaborating with me, feel free to reach out via email, and I will respond as promptly as possible.
Due to the large number of contributors to each project, it is not feasible to list them all individually.
1. High-throughput calculations for Materials Project
1. High-throughput calculations for Materials Project
Collaborator: Prof. Geoffroy Hautier (Dartmouth), Prof. Anubhav Jain (LBNL), Prof. Kristin Persson (UC Berkeley) and Hrushikesh Sahasrabuddhe (UC Berkeley and LBNL)
Collaborator: Prof. Geoffroy Hautier (Dartmouth), Prof. Anubhav Jain (LBNL), Prof. Kristin Persson (UC Berkeley) and Hrushikesh Sahasrabuddhe (UC Berkeley and LBNL)
Date: 2023-present
Date: 2023-present
Our project primarily focuses on constructing the largest phonon database for the Materials Project (MP), with further objectives of developing a finite-temperature phonon database and calculating lattice thermal conductivity.
Our project primarily focuses on constructing the largest phonon database for the Materials Project (MP), with further objectives of developing a finite-temperature phonon database and calculating lattice thermal conductivity.
2. High-Throughput Software developer
2. High-Throughput Software developer
Collaborator: Prof. Geoffroy Hautier (Dartmouth), Prof. Janine George (Bundesanstalt für Materialforschung und -prüfung) and Hrushikesh Sahasrabuddhe (LBNL)
Collaborator: Prof. Geoffroy Hautier (Dartmouth), Prof. Janine George (Bundesanstalt für Materialforschung und -prüfung) and Hrushikesh Sahasrabuddhe (LBNL)
Date: 2024-present
Date: 2024-present
I am also a contributor to high-throughput software: Atomate2, serving as a developer for its lattice dynamics branch. We will release an Atomate2 paper in aRxiv soon!
I am also a contributor to high-throughput software: Atomate2, serving as a developer for its lattice dynamics branch. We will release an Atomate2 paper in aRxiv soon!
3.1 Anharmonic Lattice dynamics
3.1 Anharmonic Lattice dynamics
Collaborator: Changpeng Lin (Main theory collaborator - EPFL), Prof. Geoffroy Hautier (Dartmouth), Prof. Anubhav Jain (LBNL), Hrushikesh Sahasrabuddhe (UC Berkeley and LBNL), Prof. Ruiqiang Guo ( SIAT), Prof. Baoling Huang (HKUST), Prof. Yanguang Zhou (HKUST), Dr. Chongjia Lin(HKUST) and Jincheng Yue.
Collaborator: Changpeng Lin (Main theory collaborator - EPFL), Prof. Geoffroy Hautier (Dartmouth), Prof. Anubhav Jain (LBNL), Hrushikesh Sahasrabuddhe (UC Berkeley and LBNL), Prof. Ruiqiang Guo ( SIAT), Prof. Baoling Huang (HKUST), Prof. Yanguang Zhou (HKUST), Dr. Chongjia Lin(HKUST) and Jincheng Yue.
3.2 Unified Theory of thermal Transport
3.2 Unified Theory of thermal Transport
Date: 2023-present
Date: 2023-present
During my Ph.D. studies and continuing into my current research, I have focused on deepening the understanding of lattice thermal transport in crystalline materials, with an emphasis on identifying materials with ultra-low thermal conductivity and uncovering the underlying mechanisms responsible for such behavior.
During my Ph.D. studies and continuing into my current research, I have focused on deepening the understanding of lattice thermal transport in crystalline materials, with an emphasis on identifying materials with ultra-low thermal conductivity and uncovering the underlying mechanisms responsible for such behavior.
4. Universal Machine-leaning Force Field and Machince-leanring Interatomic Potential Applications
4. Universal Machine-leaning Force Field and Machince-leanring Interatomic Potential Applications
Collaborator: Prof. Shyue Ping Ong (UCSD), Runze Liu (UCSD), Changpeng Lin (EPFL), Prof. Geoffroy Hautier (Dartmouth), Prof. Anubhav Jain (LBNL), Prof. Kristin Persson (UC Berkeley) and Hrushikesh Sahasrabuddhe (UC Berkeley and LBNL)
Collaborator: Prof. Shyue Ping Ong (UCSD), Runze Liu (UCSD), Changpeng Lin (EPFL), Prof. Geoffroy Hautier (Dartmouth), Prof. Anubhav Jain (LBNL), Prof. Kristin Persson (UC Berkeley) and Hrushikesh Sahasrabuddhe (UC Berkeley and LBNL)
Date: 2024-present
Date: 2024-present
We aim to contribute to advancing the performance of UMLFF (Universal Machine-Learned Force Fields) by leveraging our high-throughput DFT data.
We aim to contribute to advancing the performance of UMLFF (Universal Machine-Learned Force Fields) by leveraging our high-throughput DFT data.
5. Battery Calculations
5. Battery Calculations
Collaborator: Prof. Ruiqiang Guo, Prof. Yunjian Liu (Jiangsu University), Dr. Biyuan Liu(HKUST), Prof. He Huang and Yuewang Yang
Collaborator: Prof. Ruiqiang Guo, Prof. Yunjian Liu (Jiangsu University), Dr. Biyuan Liu(HKUST), Prof. He Huang and Yuewang Yang
Date: 2022-present
Date: 2022-present
Currently, I am also focused on evaluating battery performance through various approaches, including formation energy calculations, reaction path analysis, classical molecular dynamics (MD) simulations, and climbing nudged elastic band (cNEB) calculations.
Currently, I am also focused on evaluating battery performance through various approaches, including formation energy calculations, reaction path analysis, classical molecular dynamics (MD) simulations, and climbing nudged elastic band (cNEB) calculations.
6.1 Radiative cooling applications
6.1 Radiative cooling applications
Date: 2022-present
Date: 2022-present
To utilize waste heat effectively, I dedicate my efforts to research in thermoelectrics. Simultaneously, to promote energy conservation, I have also conducted studies on radiative cooling techniques.
To utilize waste heat effectively, I dedicate my efforts to research in thermoelectrics. Simultaneously, to promote energy conservation, I have also conducted studies on radiative cooling techniques.
6.2 Thermoelectrics
6.2 Thermoelectrics
Collaborator: Prof. Geoffroy Hautier, Prof. Susan Kauzlarich (UC Davis) and Prof. Baoling Huang (HKUST) and Dr. Chongjia Lin(HKUST), Jincheng Yue, and Dr. Sijing Liu (HKUST)
Collaborator: Prof. Geoffroy Hautier, Prof. Susan Kauzlarich (UC Davis) and Prof. Baoling Huang (HKUST) and Dr. Chongjia Lin(HKUST), Jincheng Yue, and Dr. Sijing Liu (HKUST)
7. Quantum Defect Center
7. Quantum Defect Center
Date: 2023-present
Date: 2023-present
A quantum defect center is a localized electronic state created by a point defect in a crystal lattice, often associated with vacancies, substitutions, or interstitial atoms. These centers, which are typically introduced intentionally or occur naturally, have unique quantum mechanical properties that make them useful for various advanced applications.
A quantum defect center is a localized electronic state created by a point defect in a crystal lattice, often associated with vacancies, substitutions, or interstitial atoms. These centers, which are typically introduced intentionally or occur naturally, have unique quantum mechanical properties that make them useful for various advanced applications.
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