Recent Articles
Manzhang Xu, Hongjia Ji, Lu Zheng, Weiwei Li, Jing Wang et al. · Nature Communications (2024)
Twisted bilayer MoS₂ growth directly addresses moiré physics and flat-band engineering—core HIGH PRIORITY interests with recent experimental advances.
Zhenbang Dai, Chao Lian, Jon Lafuente-Bartolome, Feliciano Giustino · Physical Review Letters (2024)
First-principles exciton-phonon couplings from the Giustino group bridges excitons, electron-phonon coupling, and polaron physics—three HIGH PRIORITY topics.
C. T. Parzyck, Naman Gupta, Y. Wu, V. Anil, Lopa Bhatt et al. · Nature Materials (2024)
Charge density wave absence in infinite-layer nickelates provides crucial CDW context across different material classes, supporting strain-engineering research program.
Dmitry Scherbakov, Nina Hubig, Vinita Jansari, Alexander Bakumenko, Leslie Lenert · Journal of the American Medical Informatics Association (2025)
2025 publication showing LLM-assisted systematic reviews directly supports the HIGH PRIORITY interest in AI-assisted scientific automation for research workflows.
Ranjan Sapkota, Konstantinos I. Roumeliotis, Manoj Karkee · Information Fusion (2025)
2025 taxonomy of AI Agents vs Agentic AI provides theoretical framing for autonomous DFT workflows and Claude-assisted computational physics automation.
Classic Foundations
Atsushi Togo · Journal of the Physical Society of Japan (2022)
Phonopy/Phono3py review (1457 cites) is foundational for phonon calculations and electron-phonon coupling—essential for EPW and spectral function work.
Arun Bansil, Hsin Lin, Tanmoy Das · Reviews of Modern Physics (2016)
Topological band theory colloquium (1516 cites) is canonical condensed-matter reference underpinning first-principles band structure and Wannier methods.
Shengli Zhang, Shiying Guo, Zhongfang Chen, Yeliang Wang, Hong‐Jun Gao et al. · Chemical Society Reviews (2017)
2D group-VA semiconductors review (839 cites) covers TMDs and 2D materials comprehensively—foundational for polaron and CDW research in layered systems.
Chao Lian, Shengjie Zhang, Shiqi Hu, Mengxue Guan, Sheng Meng · Nature Communications (2020)
Ultrafast charge ordering in TiSe₂ (Nature Comm, 90 cites) demonstrates exciton-phonon dynamics in CDW formation—central to understanding electron-phonon mechanisms.
E. Aprà, E. J. Bylaska, W. A. de Jong, N. Govind, K. Kowalski et al. · The Journal of Chemical Physics (2020)
NWChem review (669 cites) surveys first-principles computational methods and packages essential for DFT, GW, and BSE calculations in materials science.
Exploratory
Yixiang Ruan, Chenyin Lu, Ning Xu, Yuchen He, Yi-Xin Chen et al. · Nature Communications (2024)
LLM-powered chemical synthesis platform demonstrates autonomous AI agents orchestrating complex computational tasks—bridges AI automation interest with materials workflows.
Mengxue Guan, Daqiang Chen, Shiqi Hu, Hui Zhao, Peiwei You et al. · Ultrafast Science (2022)
Ultrafast dynamics in quantum materials provides time-resolved theoretical framework relevant to CDW dynamics and exciton-phonon coupling outside standard ab initio scope.