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Jisu Jung
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Training machine-learning potentials for crystal structure prediction using disordered structures
C Hong, JM Choi, W Jeong, S Kang, S Ju, K Lee, J Jung, Y Youn, S Han
Physical Review B 102 (22), 224104, 2020
312020
Efficient atomic-resolution uncertainty estimation for neural network potentials using a replica ensemble
W Jeong, D Yoo, K Lee, J Jung, S Han
The Journal of Physical Chemistry Letters 11 (15), 6090-6096, 2020
272020
Metadynamics sampling in atomic environment space for collecting training data for machine learning potentials
D Yoo, J Jung, W Jeong, S Han
npj Computational Materials 7 (1), 131, 2021
152021
AMP2: A fully automated program for ab initio calculations of crystalline materials
Y Youn, M Lee, C Hong, D Kim, S Kim, J Jung, K Yim, S Han
Computer Physics Communications 256, 107450, 2020
112020
Stability and equilibrium structures of unknown ternary metal oxides explored by machine-learned potentials
S Hwang, J Jung, C Hong, W Jeong, S Kang, S Han
Journal of the American Chemical Society 145 (35), 19378-19386, 2023
102023
Atomistic kinetic Monte Carlo simulation on atomic layer deposition of TiN thin film
S Kim, H An, S Oh, J Jung, B Kim, SK Nam, S Han
Computational Materials Science 213, 111620, 2022
82022
Applications and training sets of machine learning potentials
C Hong, J Kim, J Kim, J Jung, S Ju, JM Choi, S Han
Science and Technology of Advanced Materials: Methods 3 (1), 2269948, 2023
62023
Electrochemical Degradation of Pt3Co Nanoparticles Investigated by Off-Lattice Kinetic Monte Carlo Simulations with Machine-Learned Potentials
J Jung, S Ju, P Kim, D Hong, W Jeong, J Lee, S Han, S Kang
ACS Catalysis 13 (24), 16078-16087, 2023
42023
Disorder-Dependent Li Diffusion in Li6PS5Cl Investigated by Machine-Learning Potential
J Lee, S Ju, S Hwang, J You, J Jung, Y Kang, S Han
ACS Applied Materials & Interfaces, 2024
22024
Predicting melting temperature of inorganic crystals via crystal graph neural network enhanced by transfer learning
J Kim, J Jung, S Kim, S Han
Computational Materials Science 234, 112783, 2024
22024
Modified Activation-Relaxation Technique (ARTn) Method Tuned for Efficient Identification of Transition States in Surface Reactions
J Jung, H An, J Lee, S Han
Journal of Chemical Theory and Computation, 2024
2024
Disorder-dependent Li diffusion in investigated by machine learning potential
J Lee, S Ju, S Hwang, J You, J Jung, Y Kang, S Han
arXiv preprint arXiv:2310.19350, 2023
2023
Constructing the Neural Network Potential With the Energies of the Atom and Its Derivatives
J Jung, W Jeong, S Han
Bulletin of the American Physical Society 65, 2020
2020
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