Zobrazeno 1 - 10
of 469
pro vyhledávání: '"Han, Seungwu"'
Machine learning interatomic potentials (MLIPs) are used to estimate potential energy surfaces (PES) from ab initio calculations, providing near quantum-level accuracy with reduced computational costs. However, the high cost of assembling high-fideli
Externí odkaz:
http://arxiv.org/abs/2409.07947
Publikováno v:
Journal of Chemical Theory and Computation 20 (2024) 4857-4868
Message-passing graph neural network interatomic potentials (GNN-IPs), particularly those with equivariant representations such as NequIP, are attracting significant attention due to their data efficiency and high accuracy. However, parallelizing GNN
Externí odkaz:
http://arxiv.org/abs/2402.03789
Solid-state electrolytes with argyrodite structures, such as $\mathrm{Li_6PS_5Cl}$, have attracted considerable attention due to their superior safety compared to liquid electrolytes and higher ionic conductivity than other solid electrolytes. Althou
Externí odkaz:
http://arxiv.org/abs/2310.19350
Autor:
Cho, Seong Won, Lee, In Hak, Lee, Youngwoong, Kim, Sangheon, Khim, Yeong Gwang, Park, Seung-Young, Jo, Younghun, Choi, Junwoo, Han, Seungwu, Chang, Young Jun, Lee, Suyoun
Publikováno v:
Nano Convergence (2023) 10:11
The interplay between ferromagnetism and the non-trivial topology has unveiled intriguing phases in the transport of charges and spins. For example, it is consistently observed the so-called topological Hall effect (THE) featuring a hump structure in
Externí odkaz:
http://arxiv.org/abs/2310.14259
Autor:
Kang, Sung-Gyu, Jeong, Wonseok, Kim, Hwangsun, Paeng, Jeongin, Han, Seungwu, Han, Heung Nam, Choi, In-Suk
Under hydrostatic pressure, alpha-quartz undergoes solid-state mechanical amorphization wherein the interpenetration of SiO4 tetrahedra occurs and the material loses crystallinity. This phase transformation requires a high hydrostatic pressure of 14
Externí odkaz:
http://arxiv.org/abs/2212.13098
While several studies confirmed that machine-learned potentials (MLPs) can provide accurate free energies for determining phase stabilities, the abilities of MLPs for efficiently constructing a full phase diagram of multi-component systems are yet to
Externí odkaz:
http://arxiv.org/abs/2208.11863
Autor:
Jung, Jongkeun, Nicolai, Sungwoo Kang Laurent, Hong, Jisook, Minár, Jan, Song, Inkyung, Kyung, Wonshik, Cho, Soohyun, Kim, Beomseo, Denlinger, Jonathan D., Aires, Francisco J. C. S., Ehret, Eric, Ross, Philip N., Shim, Jihoon, Nemšák, Slavomir, Noh, Doyoung, Han, Seungwu, Kim, Changyoung, Mun, Bongjin S.
Using angle-resolved photoemission spectroscopy, we show the direct evidence of charge transfer between adsorbed molecules and metal substrate, i.e. chemisorption of CO on Pt(111) and Pt-Sn/Pt(111) 2x2 surfaces. The observed band structure shows a un
Externí odkaz:
http://arxiv.org/abs/2108.03855
Bonding structure and dry etching characteristics in amorphous B–C–N films for hardmask applications
Autor:
Kim, Hongik, Kim, Unggi, Hong, Deokgi, Kim, Sungtae, Han, Seungwu, Joo, Young-Chang, Lee, So-Yeon
Publikováno v:
In Carbon June 2024 226
Autor:
Cho, Seong Won, Jeong, Seung Gyo, Kwon, Hee Young, Song, Sehwan, Han, Seungwu, Han, Jung Hoon, Park, Sungkyun, Choi, Woo Seok, Lee, Suyoun, Choi, Jun Woo
Publikováno v:
published in 2021
Investigating the effects of the complex magnetic interactions on the formation of nontrivial magnetic phases enables a better understanding of magnetic materials. Moreover, an effective method to systematically control those interactions and phases
Externí odkaz:
http://arxiv.org/abs/2107.07144
Publikováno v:
npj Comput. Mater. 8, 108 (2022)
The discovery of new multicomponent inorganic compounds can provide direct solutions to many scientific and engineering challenges, yet the vast size of the uncharted material space dwarfs current synthesis throughput. While the computational crystal
Externí odkaz:
http://arxiv.org/abs/2107.02594