Papers citing High-Throughput Computation of Thermal Conductivity of High-Temperature Solid Phases: The Case of Oxide and Fluoride Perovskites
Strong anharmonicity and high thermoelectric performance of cubic thallium-based fluoride perovskites TlXF 3 (X = Hg, Sn, Pb)
Physical Chemistry Chemical Physics · 2023-01-01
Xuhao Song, Yinchang Zhao, Xichang Wang, Jun Ni, Sheng Meng, Zhenhong Dai
Read original paper ↗ ·NaBeAs and NaBeSb: Novel Ternary Pnictides with Enhanced Thermoelectric Performance
The Journal of Physical Chemistry C · 2023-01-21
Yuxin Cai, Muhammad Faizan, Xingchen Shen, Abdelazim M. Mebed, Tahani A. Alrebdi, Xin He
Read original paper ↗ ·Prediction of lattice thermal conductivity with two-stage interpretable machine learning
Chinese Physics B · 2023-02-10
Jinlong Hu, Yuting Zuo, Yuzhou Hao, Guoyu Shu, Yang Wang, Minxuan Feng, Xuejie Li, Xiaoying Wang, Jun Sun, Xiangdong Ding, Zhibin Gao, Guimei Zhu, Baowen Li
Read original paper ↗ ·First-principles study of the lattice thermal conductivity of the nitride perovskite LaWN3
Physical review. B./Physical review. B · 2023-03-23
Qi Ren, Yongheng Li, Yingzhuo Lun, Gang Tang, Jiawang Hong
Read original paper ↗ ·Predicting lattice thermal conductivity of semiconductors from atomic-information-enhanced CGCNN combined with transfer learning
Applied Physics Letters · 2023-04-10
Zeyu Wang, Jinlong Ma, Run Hu, Xiaobing Luo
Read original paper ↗ ·Neural-network-backed effective harmonic potential study of the ambient pressure phases of hafnia
Physical review. B./Physical review. B · 2023-05-17
Sebastian Bichelmaier, Jesús Carrete, Ralf Wanzenböck, Florian Buchner, Georg K. H. Madsen
Read original paper ↗ ·Role of high-order anharmonicity and off-diagonal terms in thermal conductivity: A case study of multiphase CsPbBr 3
Physical review. B./Physical review. B · 2023-06-20
Xiaoying Wang, Zhibin Gao, Guimei Zhu, Jie Ren, Lei Hu, Jun Sun, Xiangdong Ding, Yi Xia, Baowen Li
Read original paper ↗ ·LinReTraCe: The linear response transport centre
SciPost Physics Codebases · 2023-07-17
Matthias Pickem, Emanuele Maggio, Jan M. Tomczak
Read original paper ↗ ·Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange
Digital Discovery · 2024-01-01
Matthew L. Evans, J. Bergsma, Andrius Merkys, Casper Welzel Andersen, Oskar B. Andersson, Daniel Beltrán Mora, Evgeny Blokhin, Tara M. Boland, Rubén Castañeda Balderas, Kamal Kumar Choudhary, Alberto Díaz Díaz, R. García, Hagen Eckert, Kristjan Eimre, María E. Fuentes, Adam M. Krajewski, Jens Jørgen Mortensen, José Manuel Nápoles Duarte, Jacob Pietryga, Ji Qi, Felipe de Jesús Trejo Carrillo, Antanas Vaitkus, Ju‐Song Yu, Adam C. Zettel, Pedro Baptista de Castro, Johan Martin Carlsson, Tiago F. T. Cerqueira, Simon Divilov, Hamidreza Hajiyani, Felix Hanke, Kevin Jose, Corey Oses, Janosh Riebesell, Jonathan Schmidt, Donny Winston, Christen Xie, Xiaoyu Yang, Sara Bonella, Silvana Botti, Stefano Curtarolo A, Claudia Draxl, L. Fuentes, Adam Hospital, Zi‐Kui Liu, Miguel A. L. Marques, Nicola Marzari, Andrew J. Morris, Shyue Ping Ong, Modesto Orozco, Kristin Aslaug Persson, Kristian Sommer Thygesen, Chris M. Wolverton, Markus Scheidgen, Cormac Toher, G. J. Conduit, Giovanni Pizzi, S. Gražulis, Gian‐Marco Rignanese, Rickard Armiento
Read original paper ↗ ·High-entropy alloy screening for halide perovskites
Materials Horizons · 2024-01-01
Christopher P. Muzzillo, Cristian V. Ciobanu, David T. Moore
Read original paper ↗ ·Materials modelling: current state-of-the-art for phase-change photonic computing
Elsevier eBooks · 2024-01-01
Tae Hoon Lee, Stephen R. Elliott
Read original paper ↗ ·Searching for low thermal conductivity materials for thermal barrier coatings: A theoretical approach
Physical Review Materials · 2024-03-06
Majid Zeraati, Артем Ромаевич Оганов, Tao Fan, Sergey F. Solodovnikov
Read original paper ↗ ·Modulating Thermal Conductivity via Targeted Phonon Excitation
Nano Letters · 2024-05-13
Xiao Wan, Dongkai Pan, Zhicheng Zong, Yangjun Qin, Jing‐Tao Lü, Sebastian G. Volz, Lifa Zhang, Nuo Yang
Read original paper ↗ ·Thermal conductivity of BaZrO 3 and KTaO 3 single crystals
Applied Physics Express · 2024-06-26
Makoto Tachibana, Cédric Bourgès, Takao Mori
Read original paper ↗ ·Machine learning prediction of materials properties from chemical composition: Status and prospects
Chemical Physics Reviews · 2024-12-01
Mohammed Alghadeer, Nufida D. Aisyah, Mahmoud Hezam, Saad M. Alqahtani, Ahmer A.B. Baloch, Fahhad H. Alharbi
Read original paper ↗ ·Unveiling phase dependent physical properties of cubic and hexagonal CsCdBr 3 : a DFT approach
Materials Advances · 2025-01-01
Arpon Chakraborty, M. N. H. Liton, Mst. Halima Khatun, Md. Shahjahan
Read original paper ↗ ·Using Targeted Phonon Excitation to Modulate Thermal Conductivity of Boron Nitride
Chinese Physics Letters · 2025-05-15
Dongkai Pan, Tianhao 天豪 Li 李, Xiao 骁 Wan 万, Zhicheng Zong, Yangjun 杨军 Qin 秦, Nuo Yang
Read original paper ↗ ·A review of machine learning approaches for the discovery of thermoelectric materials
Advances in Physics X · 2025-07-27
Övgü Ceyda Yelgel, Celal Yelgel
Read original paper ↗ ·Three-dimensional opto-electro-thermal coupled modeling and thermal optimization of perovskite solar cells using aluminum nitride interface layers
Journal of Physics D Applied Physics · 2026-01-07
Mingze Li, Hao Wu, Zizheng Wang, Jiamin Zhu, Beitao Ren, Yang Cao, Yaohong He, Zhelin Mao, Xinyi Long, Daquan Zhang, Xiangdong Yao, Zhiyong Fan, Yu Fu
Read original paper ↗ ·Exploring the Role of Four-Phonon Scattering in the Lattice Thermal Transport of LaMoN 3
The Journal of Physical Chemistry Letters · 2026-01-27
Manjari Jain, Sanchi Monga, Saswata Bhattacharya
Read original paper ↗ ·Artificial Intelligence in the Discovery and Design of Ionic Liquids for Thermal Energy Applications
Journal of Chemical Information and Modeling · 2026-08-28
Pawan Chhipa, Zachariah Steven Baird, Dinis O. Abranches, Oliver Järvik
Read original paper ↗ ·