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Yoonjae (Yoon) Park

I am a Postdoctoral Researcher in the Department of Chemistry at Massachusetts Institute of Technology (MIT), working with Prof. Adam Willard on understanding the electrochemical dynamics near the aqueous electrode interface. I completed my Ph.D. at the University of California-Berkeley in Chemistry in 2023 under the supervision of Prof. David Limmer. My doctoral study focused on studying the interplay between structural dynamics and optoelectronic properties of semiconducting materials. Prior to my Ph.D., I received B.S. in Chemistry and Mathematics in 2016 (Summa Cum Laude), and M.S. in Chemistry in 2018 from Sogang University, advised by Prof. Bong June Sung, working on identifying the structural motif in glass-forming liquids. Further details can be found in CV.

Postdoctoral Researcher

MIT, USA

PhD, Physical Chemistry

University of California-Berkeley, USA

MS, Physical Chemistry

Sogang University, South Korea

BS, Chemistry and Mathematics

Sogang University, South Korea

Research

Our research aims to develop theoretical frameworks and computational methodologies to address fundamental questions at the interface of chemistry, physics, and material science. By integrating theory, modeling, and simulation techniques—grounded in path integral theory, statistical mechanics, and quantum mechanics—we strive to uncover physical insights into complex molecular and condensed-phase phenomena.
PIMD
Path Integral
Molecular Dynamics
Polaron illustration
Energy Materials
MLAI
ML/AI

Publication

[11] Machine learning assisted entropy driven energy transport in 1-, 2-, 3-D random lattices
Yoonjae Park and Adam P. Willard
in preparation, 2025.
[10] Extracting Electronic Coupling for Interfacial Electron Transfer via Ring Polymer Instanton Method in Condensed Phases
Yoonjae Park and Adam P. Willard
in preparation, 2025.
[9] Modeling Interfacial Electron Transfer using Path Integral Molecular Dynamics
Yoonjae Park and Adam P. Willard
to be submitted, 2025.
[8] Theoretical insights into the role of lattice fluctuations on the excited behavior of lead halide perovskites
Yoonjae Park, Rohit Rana, Daniel Chabeda, Eran Rabani, and David T. Limmer
Acc. Mater. Res., 2025. Link PDF
[7] Biexcitons are bound in CsPbBr3 perovskite nanocrystals
Yoonjae Park and David T. Limmer
Phys. Rev. Materials, 2023. Link PDF
[6] Size-dependent lattice symmetry breaking determines the exciton fine structure of perovskite nanocrystals
Daniel Weinberg, Yoonjae Park, David T. Limmer, and Eran Rabani
Nano Letters, 2023. Link PDF
[5] Direct observation of transient structural dynamics of atomically thin halide perovskite nanowires
Mengyu Gao, Yoonjae Park, Jianbo Jin, Pengcheng Chen, Hannah Devyldere, Yao Yang, Chengyu Song, Zhenni Lin, Qiuchen Zhao, Martin Siron, Mary C. Scott, David T. Limmer, and Peidong Yang
J. Am. Chem. Soc., 2023. Link PDF
[4] Renormalization of excitonic properties by polar phonons
Yoonjae Park and David T. Limmer
J. Chem. Phys. (Editor’s Choice), 2022. Link PDF
[3] Nonlocal screening dictates the radiative lifetimes of excitations in lead halide perovskites
Yoonjae Park, Amael Obliger, and David T. Limmer
Nano Letters, 2022. Link PDF
[2] Vibrational relaxation dynamics in layered perovskite quantum wells
Li Na Quan*, Yoonjae Park*, Peijun Guo, Mengyu Gao, Jianbo Jin, Jianmei Huang, Jason K. Copper, Adam Schwartzberg, Richard Schaller, David T. Limmer, and Peidong Yang
Proc. Natl. Acad. Sci., 2021. Link PDF
[1] Translation-Rotation Decoupling of Tracers of Locally Favorable Structures in Glass-Forming Liquids
Yoonjae Park, Jeongmin Kim, and Bong June Sung
J. Chem. Phys., 2017. Link PDF

Contact

Address

77 Massachusetts Avenue, building 2
Cambridge, MA 02139, USA

Email

yoonpark@mit.edu

ypark0420@gmail.com