Jaehyeok Jin

Post Doctoral Scholar
Department of Chemistry
University of Chicago

Jaehyeok received a B.S. in Chemistry and Mathematical Sciences from the Korea Advanced Institute of Science and Technology (KAIST) in 2014. While at KAIST, he investigated the spin-orbit effect of rare gas dimers and quantum chemical properties of bis(bora)calix[4]arene in Prof. Yoon Sup Lee’s group. Also he worked with Prof. William A. Goddard III (Caltech) studying the behavior of supercooled water by using MD simulation. 

He started the Ph.D. program in Chemistry at the University of Chicago, and joined the Voth group in 2015. For his current research, he investigates development and application of new Coarse-Grained models for liquids and materials.

Current projects

I will develop a new class of CG simulation which is based on CG particles which also contain internal states to expand their ability to describe the physical features of a given target system. Development of CG methods encompasses the recently developed Ultra-Coarse-Graining methodology or an improvement of the pre-existing CG methods by including many-body correlations using a systematic approach. Using such systematic approaches, I seek to resolve two most challenging problems in coarse-graining: representability and transferability. 

Publications (* indicates co-first authors and † indicates corresponding author)

1. Jaehyeok Jin*, Yining Han*, Gregory A. Voth†, Coarse-Graining Involving Virtual Sites: Centers of Symmetry Coarse-Graining. Submitted (2018)

2. Jaehyeok Jin, Yining Han, Gregory A. Voth†, Ultra-Coarse-Grained Liquid States Considering Explicit Hydrogen Bonding. Just Accepted (2018)

3. Tamara C. Bidone, Anirban Polley*, Jaehyeok Jin*, Tristan Driscoll, Daniel V. Iwamoto, David A. Calderwood, Martin A. Schwartz, Gregory A. Voth†, Coarse- Grained Simulations of Full-Length Integrin Activation. Submitted (2018)

4. Jaehyeok Jin, Gregory A. Voth†, Ultra-Coarse-Grained Models Allow for an Accurate and Transferable Treatment of Interfacial Systems. J. Chem. Theory Comput., 2018, 14, 2180–2197, DOI: 10.1021/acs.jctc.7b01173.

5. James F. Dama*, Jaehyeok Jin*, Gregory A. Voth†, Correction to The Theory of Ultra-Coarse-Graining. 3. Coarse-grained Sites with Internal States in Rapid Local Equilibrium. J. Chem. Theory Comput., 2018, 14, 2288, DOI: 10.1021/acs.jctc.8b00178.

6. Yining Han, Jaehyeok Jin, Jacob W. Wagner, Gregory A. Voth†, Quantum theory of multiscale coarse-graining. J. Chem. Phys., 2018, 148, 102335, DOI: 10.1063/1.5010270 [Selected as Front Cover]

7. Jacob W. Wagner, Thomas Dannenhoffer-Lafage, Jaehyeok Jin, Gregory A. Voth†, Extending the Range and Physical Accuracy of Coarse-grained Models: Order Parameter Dependent Interactions. J. Chem. Phys. 2017, 147, 044113, DOI: 10.1063/1.4995946.

8. James F. Dama*, Jaehyeok Jin*, Gregory A. Voth†, The Theory of Ultra-Coarse- Graining. 3. Coarse-grained Sites with Internal States in Rapid Local Equilibrium. J. Chem. Theory Comput., 2017, 13, 1010–1022, DOI: 10.1021/acs.jctc.6b01081.

9. Jaehyeok Jin, Ji Young Park, Yoon Sup Lee†, Optical Nature and Binding Energetics of Fluorescent Fluoride Sensor Bis(bora)calix[4]arene and Design Strategies of its Homologues. J. Phys. Chem. C, 2016, 120, 24324–24334, DOI: 10.1021/acs.jpcc.6b06729.

9. Jaehyeok Jin, William A. Goddard III, Mechanisms Underlying the Mpemba Effect in Water from Molecular Dynamics Simulations. J. Phys. Chem. C, 2015, 119, 2622–2629, DOI: 10.1021/jp511752n