Skip to main content

Hyeondeok Shin

Computational Science 2

Physicist & computational scientist with expertise in chemistry, condensed matter physics, & computational physics. He specializes in methods & applications of Density Functional Theory, Quantum Chemistry, & Quantum Monte Carlo for functional materials.


Hyeondeok Shin’s research focuses on the application of highly accurate Quantum Monte Carlo method to functional materials in order to study their electronic and magnetic properties.

He has been mainly researching electronic structures for various transition metal oxides, 2D materials using Density Functional Theory and Quantum Monte Carlo methods.  

In addition, he also participates in the development of QMCPACK package, a modern high-performance open-source Quantum Monte Carlo simulation code, by contributing to test sets and wavefunction converters to speed up the algorithm.

Hyeondeok Shin received his Ph D. in Physics (Quantum Phase and Devices) from Konkuk University in South Korea in late 2015.  After graduation, he joined the Argonne Leadership Computing Facility (ALCF) as a postdoctoral appointee in 2016 and was promoted to staff in 2019.

He participates in an Exascale Computing Project in developing QMCPACK and Center for Predictive Simulation of Functional Materials.