Yun Kyung Shin

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 11

Top Topics

Metal Organic Framework

Molecular Dynamics

Top Venues

Physical chemistry chemical physics : PCCP

The journal of physical chemistry letters

ACS applied materials & interfaces

The journal of physical chemistry. A

This page only lists publications with an associated author ORCID identifier.

Publications

Mahdi Khajeh Talkhoncheh, Yun Kyung Shin, Junseok Kim, Omid Jahanmahin, Kristen A Fichthorn, Adri C T van Duin
Development of a ReaxFF Reactive Force Field for Pt/Cl Systems with Application to Platinum Metal Etching with Chlorine and Hydrogen Chloride Gases. The journal of physical chemistry. A (2024)
Jonathan R Chin, Marshall B Frye, Derrick Shao-Heng Liu, Maria Hilse, Ian C Graham, Jeffrey Shallenberger, Ke Wang, Roman Engel-Herbert, Mengyi Wang, Yun Kyung Shin, Nadire Nayir, Adri C T van Duin, Lauren M Garten
Self-limiting stoichiometry in SnSe thin films. Nanoscale (2023)
Yongjian Yang, Yun Kyung Shin, Hideaki Ooe, Xinyang Yin, Xueyi Zhang, Adri C T van Duin, Yasuhiro Murase, John C Mauro
Aqueous Stability of Metal-Organic Frameworks Using ReaxFF-Based Metadynamics Simulations. The journal of physical chemistry. B (2023)
Mert Y Sengul, Arnaud Ndayishimiye, Wonho Lee, Joo-Hwan Seo, Zhongming Fan, Yun Kyung Shin, Enrique D Gomez, Clive A Randall, Adri C T van Duin
Atomistic level aqueous dissolution dynamics of NASICON-Type Li 1+ x Al x Ti 2- x (PO 4 ) 3 (LATP). Physical chemistry chemical physics : PCCP 24 (7) (2022)
Phuoc H H Duong, Yun Kyung Shin, Valerie A Kuehl, Mohammad M Afroz, John O Hoberg, Bruce A Parkinson, Adri C T van Duin, Katie Dongmei Li-Oakey
Molecular Interactions and Layer Stacking Dictate Covalent Organic Framework Effective Pore Size. ACS applied materials & interfaces 13 (35) (2021)
Karthik Ganeshan, Yun Kyung Shin, Naresh C Osti, Yangyunli Sun, Kaitlyn Prenger, Michael Naguib, Madhusudan Tyagi, Eugene Mamontov, De-En Jiang, Adri C T van Duin
Structure and Dynamics of Aqueous Electrolytes Confined in 2D-TiO2/Ti3C2T2 MXene Heterostructures. ACS applied materials & interfaces 12 (52) (2020)
Yue Gao, Daiwei Wang, Yun Kyung Shin, Zhifei Yan, Zhuo Han, Ke Wang, Md Jamil Hossain, Shuling Shen, Atif AlZahrani, Adri C T van Duin, Thomas E Mallouk, Donghai Wang
Stable metal anodes enabled by a labile organic molecule bonded to a reduced graphene oxide aerogel. Proceedings of the National Academy of Sciences of the United States of America 117 (48) (2020)
Swarit Dwivedi, Malgorzata Kowalik, Nilton Rosenbach, Dalal S Alqarni, Yun Kyung Shin, Yongjian Yang, John C Mauro, Akshat Tanksale, Alan L Chaffee, Adri C T van Duin
Atomistic Mechanisms of Thermal Transformation in a Zr-Metal Organic Framework, MIL-140C. The journal of physical chemistry letters 12 (1) (2020)
Yawei Gao, Yun Kyung Shin, Daniel Martinez, Guha P Manogharan, Adri C T van Duin
A ReaxFF molecular dynamics study of molecular-level interactions during binder jetting 3D-printing. Physical chemistry chemical physics : PCCP 21 (38) (2019)
Mark V Fedkin, Yun Kyung Shin, Nabankur Dasgupta, Jejoon Yeon, Weiwei Zhang, Diana van Duin, Adri C T van Duin, Kento Mori, Atsushi Fujiwara, Masahiko Machida, Hiroki Nakamura, Masahiko Okumura
Development of the ReaxFF Methodology for Electrolyte-Water Systems. The journal of physical chemistry. A 123 (10) (2019)
Yongjian Yang, Collin J Wilkinson, Kuo-Hao Lee, Karan Doss, Thomas Douglas Bennett, Yun Kyung Shin, Adri C T van Duin, John C Mauro
Prediction of the Glass Transition Temperatures of Zeolitic Imidazolate Glasses through Topological Constraint Theory. The journal of physical chemistry letters 9 (24) (2018)