Zobrazeno 1 - 10
of 41
pro vyhledávání: '"Nongnuch Artrith"'
Autor:
Haoyue Guo, Matthew R. Carbone, Chuntian Cao, Jianzhou Qu, Yonghua Du, Seong-Min Bak, Conan Weiland, Feng Wang, Shinjae Yoo, Nongnuch Artrith, Alexander Urban, Deyu Lu
Publikováno v:
Scientific Data, Vol 10, Iss 1, Pp 1-8 (2023)
Abstract X-ray absorption spectroscopy (XAS) is a premier technique for materials characterization, providing key information about the local chemical environment of the absorber atom. In this work, we develop a database of sulfur K-edge XAS spectra
Externí odkaz:
https://doaj.org/article/502e6c66f2694d939a568ffae2df3efd
Autor:
Jose Antonio Garrido Torres, Vahe Gharakhanyan, Nongnuch Artrith, Tobias Hoffmann Eegholm, Alexander Urban
Publikováno v:
Nature Communications, Vol 12, Iss 1, Pp 1-9 (2021)
Computational material design often does not account for temperature effects. The present manuscript combines quantum-mechanics based calculations with a machine-learned correction to establish a unified thermodynamics framework for accurate predicti
Externí odkaz:
https://doaj.org/article/4e7b0698a52f42319f93d8d5a7ab17e2
Publikováno v:
Frontiers in Energy Research, Vol 9 (2021)
Materials for solid-state batteries often exhibit complex chemical compositions, defects, and disorder, making both experimental characterization and direct modeling with first principles methods challenging. Machine learning (ML) has proven versatil
Externí odkaz:
https://doaj.org/article/a29fed3bc16645cf9b0d69ad5b605b5f
Autor:
Huiwen Ji, Alexander Urban, Daniil A. Kitchaev, Deok-Hwang Kwon, Nongnuch Artrith, Colin Ophus, Wenxuan Huang, Zijian Cai, Tan Shi, Jae Chul Kim, Haegyeom Kim, Gerbrand Ceder
Publikováno v:
Nature Communications, Vol 10, Iss 1, Pp 1-9 (2019)
The average crystal structure largely governs the Li diffusion kinetics in well-ordered cathode materials. Here the authors show this rule does not hold true for cation-disordered analogues. Cation short-range order is not only ubiquitous but also co
Externí odkaz:
https://doaj.org/article/f73de8766e0944acbf5e035577535a51
Autor:
Deok-Hwang Kwon, Jinhyuk Lee, Nongnuch Artrith, Hyunchul Kim, Lijun Wu, Zhengyan Lun, Yaosen Tian, Yimei Zhu, Gerbrand Ceder
Publikováno v:
Cell Reports Physical Science, Vol 1, Iss 9, Pp 100187- (2020)
Summary: Li-excess cation-disordered rocksalt (DRX) oxides have shown potential as high-energy-density Li-ion cathodes. They typically exploit O redox to achieve high capacity, which can trigger oxygen loss at the surface, thereby affecting the catho
Externí odkaz:
https://doaj.org/article/60ac071d482c4b21b0c8846687fa20e2
Autor:
Allan S. Johnson, Daniel Perez-Salinas, Khalid M. Siddiqui, Sungwon Kim, Sungwook Choi, Klara Volckaert, Paulina E. Majchrzak, Søren Ulstrup, Naman Agarwal, Kent Hallman, Richard F. Haglund, Christian M. Günther, Bastian Pfau, Stefan Eisebitt, Dirk Backes, Francesco Maccherozzi, Ann Fitzpatrick, Sarnjeet S. Dhesi, Pierluigi Gargiani, Manuel Valvidares, Nongnuch Artrith, Frank de Groot, Hyeongi Choi, Dogeun Jang, Abhishek Katoch, Soonnam Kwon, Sang Han Park, Hyunjung Kim, Simon E. Wall
Publikováno v:
Nature Physics.
Autor:
Jon López-Zorrilla, Xabier M. Aretxabaleta, In Won Yeu, Iñigo Etxebarria, Hegoi Manzano, Nongnuch Artrith
In this work, we present {\ae}net-PyTorch, a PyTorch-based implementation for training artificial neural network-based machine learning interatomic potentials. Developed as an extension of the atomic energy network ({\ae}net), {\ae}net-PyTorch provid
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a94e2ed815c5631a72a7f71c5580dbff
Autor:
Allan S. Johnson, Daniel Perez-Salinas, Khalid M. Siddiqui, Sungwon Kim, Sungwook Choi, Klara Volckaert, Paulina E. Majchrzak, Søren Ulstrup, Naman Agarwal, Kent Hallman, Richard F. Haglund, Christian M. Günther, Bastian Pfau, Stefan Eisebitt, Dirk Backes, Francesco Maccherozzi, Ann Fitzpatrick, Sarnjeet S. Dhesi, Pierluigi Gargiani, Manuel Valvidares, Nongnuch Artrith, Frank de Groot, Hyeongi Choi, Dogeun Jang, Abhishek Katoch, Soonnam Kwon, Sang Han Park, Hyunjung Kim, Simon E. Wall
Publikováno v:
Johnson, A S, Perez-Salinas, D, Siddiqui, K, Kim, S, Choi, S, Volckaert, K, Majchrzak, P E, Ulstrup, S, Agarwal, N, Hallman, K A, Haglund, R F, Günther, C M, Pfau, B, Eisebitt, S, Backes, D, Maccherozzi, F, Fitzpatrick, A, Dhesi, S S, Gargiani, P, Valvidares, M, Artrith, N, de Groot, F, Choi, H, Jang, D, Katoch, A, Kwon, S, Park, S H, Kim, H & Wall, S E 2023, ' Ultrafast X-ray imaging of the light-induced phase transition in VO2 ', Nature Physics, vol. 19, pp. 215 . https://doi.org/10.1038/s41567-022-01848-w
Johnson, A S, Perez-Salinas, D, Siddiqui, K M, Kim, S, Choi, S, Volckaert, K, Majchrzak, P E, Ulstrup, S, Agarwal, N, Hallman, K, Haglund, R F, Günther, C M, Pfau, B, Eisebitt, S, Backes, D, Maccherozzi, F, Fitzpatrick, A, Dhesi, S S, Gargiani, P, Valvidares, M, Artrith, N, de Groot, F, Choi, H, Jang, D, Katoch, A, Kwon, S, Park, S H, Kim, H & Wall, S E 2023, ' Ultrafast X-ray imaging of the light-induced phase transition in VO 2 ', Nature Physics, vol. 19, no. 2, pp. 215-220 . https://doi.org/10.1038/s41567-022-01848-w
Johnson, A S, Perez-Salinas, D, Siddiqui, K M, Kim, S, Choi, S, Volckaert, K, Majchrzak, P E, Ulstrup, S, Agarwal, N, Hallman, K, Haglund, R F, Günther, C M, Pfau, B, Eisebitt, S, Backes, D, Maccherozzi, F, Fitzpatrick, A, Dhesi, S S, Gargiani, P, Valvidares, M, Artrith, N, de Groot, F, Choi, H, Jang, D, Katoch, A, Kwon, S, Park, S H, Kim, H & Wall, S E 2023, ' Ultrafast X-ray imaging of the light-induced phase transition in VO 2 ', Nature Physics, vol. 19, no. 2, pp. 215-220 . https://doi.org/10.1038/s41567-022-01848-w
Using light to control transient phases in quantum materials is an emerging route to engineer new properties and functionality, with both thermal and non-thermal phases observed out of equilibrium. Transient phases are expected to be heterogeneous, e
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::635ec0caae20f9fe2711c1f2b7206fbc
Publikováno v:
Physical Review Materials. 6
Nickel-based layered oxides offer an attractive platform for the development of energy-dense cobalt-free cathodes for lithium-ion batteries but suffer from degradation via oxygen gas release during electrochemical cycling. While such degradation has
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::72460e701cd77d5d763e9caaf85085ff
http://arxiv.org/abs/2112.04697
http://arxiv.org/abs/2112.04697