41 citations · 112 across the 6 of their papers we have counts for
6 papers
Bridging Atomistic Simulation and Experimental Processing Timescales with Goal-Directed Deep Reinforcement Learning
Wonseok Jeong, Francesca Tavazza, Brian DeCost
Atomic-scale modeling has advanced rapidly through integration of machine learning, yet a key bottleneck remains. Even with an accurate potential energy surface and a clear target…
Spectroscopy-Guided Discovery of Three-Dimensional Structures of Disordered Materials with Diffusion Models
Hyuna Kwon, Tim Hsu, Wenyu Sun +8
The ability to rapidly develop materials with desired properties has a transformative impact on a broad range of emerging technologies. In this work, we introduce a new framework b…
E-beam-enhanced solid-state mechanical amorphization of alpha-quartz: Reducing deformation barrier via localized excess electrons as mobile anions
Sung-Gyu Kang, Wonseok Jeong, Hwangsun Kim +4
Under hydrostatic pressure, alpha-quartz undergoes solid-state mechanical amorphization wherein the interpenetration of SiO4 tetrahedra occurs and the material loses crystallinity.…
Metadynamics sampling in atomic environment space for collecting training data for machine learning potentials
Dongsun Yoo, Jisu Jung, Wonseok Jeong +1
The universal mathematical form of machine-learning potentials (MLPs) shifts the core of development of interatomic potentials to collecting proper training data. Ideally, the trai…
Training machine-learning potentials for crystal structure prediction using disordered structures
Changho Hong, Jeong Min Choi, Wonseok Jeong +6
Prediction of the stable crystal structure for multinary (ternary or higher) compounds with unexplored compositions demands fast and accurate evaluation of free energies in explori…
Atomic energy mapping of neural network potential
Dongsun Yoo, Kyuhyun Lee, Wonseok Jeong +2
We show that the intelligence of the machine-learning potential arises from its ability to infer the reference atomic-energy function from a given set of total energies. By utilizi…