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119 papers · 6 repos

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Recent Frontiers
Luo, Park & Bernardi · Nature Physics 21, 1275 (2025) (2025)
Introduces numerically exact diagrammatic Monte Carlo polaron calculations grounded in first-principles electron–phonon interactions, directly advancing EPW-based polaron physics in real materials like SrTiO3 and TiO2.
et al. · Phys. Rev. B 111, 155126 (2025) (2025)
Identifies moiré optical phonons strongly coupled to flat bands via an effective Holstein model at the moiré scale, directly relevant to the researcher's work on moiré phonons and electron-phonon coupling in twisted graphene.
et al. · arXiv:2601.06778 (2026) (2026)
Shows that moiré phonons—including the phason—become infrared-active upon doping via interband electron-phonon matrix elements, intersecting moiré physics, optical response, and flat-band superconductivity interests simultaneously.
et al. · Commun. Phys. (2026) (2026)
Uses time-resolved EUV momentum microscopy and DFPT to show CDW fluctuations in 1T-TiSe2 are electron-phonon-driven rather than excitonic, directly addressing the researcher's CDW and first-principles phonon interests.
Dai, Lafuente-Bartolome & Giustino · arXiv:2512.06176 (2025) (2025)
Comprehensive review unifying effective-Hamiltonian and ab initio polaron frameworks including exciton polarons and self-trapped excitons within a single field-theoretic language, directly relevant to EPW polaron calculations.
Classic Foundations
Giustino · Rev. Mod. Phys. 89, 015003 (2017) (2017)
The definitive modern review of DFPT + Wannier-interpolation electron-phonon methodology underpinning EPW, superconductivity, transport, and polaron calculations throughout this researcher's work.
Marzari et al. · Rev. Mod. Phys. 84, 1419 (2012) (2012)
Essential reference for the Wannier interpolation framework underlying EPW, BerkeleyGW, and tight-binding Hamiltonians used throughout the researcher's computational toolkit.
Hybertsen & Louie · Phys. Rev. B 34, 5390 (1986) (1986)
Landmark ab initio GW self-energy paper establishing quasiparticle band-structure calculations foundational to BerkeleyGW and all GW/BSE work in the profile.
Poncé et al. · Comput. Phys. Commun. 209, 116 (2016) (2016)
Primary EPW code reference describing Wannier-based electron-phonon interpolation for superconductivity, transport, and polaron calculations—core methodology for this researcher.
Deslippe et al. · Comput. Phys. Commun. 183, 1269 (2012) (2012)
Reference implementation paper for BerkeleyGW, the GW/BSE code central to this researcher's quasiparticle band structures and excitonic optical response calculations.
Exploratory
Liu et al. · npj Comput. Mater. 11, 248 (2025) (2025)
Bridges AI-assisted DFT automation with moiré structural relaxation in MX2 TMDs—an unexpected convergence of the researcher's ML/automation interests with large-scale moiré phonon calculations normally intractable by direct DFT.
Luo et al. · Nature Comput. Sci. 4 (2024) (2024)
Equivariant graph neural networks that predict electron-phonon coupling matrix elements at DFT accuracy orders of magnitude faster—could transform EPW-based polaron and superconductivity workflows the researcher relies on.

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Score 5 (17)

5
Romain Claes, Samuel Poncé, G.-M. Rignanese, G. Hautier · Nature Reviews Physics 2025 · Cites: 24
5
Chi Chen, D. Nguyen, Shannon J Lee, Nathan Baker, Ajay S. Karakoti et al. · Journal of the American Chemical Society 2024 · Cites: 79
5
Shuai Lv, Lei Peng, Wentiao Wu, Yufan Yao, Shizhe Jiao et al. · Materials Genome Engineering Advances 2025 · Cites: 7
5
Yao Luo, Jinsoo Park, Marco Bernardi · Nature Physics 2025 · Cites: 12
5
Stefano Ragni, Tomislav Mivski'c, Thomas Hahn, Nikolay V. Prokof'ev, O. S. Barivsi'c et al. · 2025 · Cites: 2
5
Zien Zhu, Chih-En Hsu, Benran Zhang, Zhenfa Zheng, M. D. Ben et al. · 2025 · Cites: 0
5
Konrad Merkel, Maximilian F. X. Dorfner, M. Engel, Georg Kresse, Frank Ortmann · Journal of Physics: Materials 2025 · Cites: 0
5
Wei Guo, Jinfei Dai, Shuaiqi He, Lin Yang, Yanni He et al. · Advancement of science 2026 · Cites: 0
5
J. Geuchies, J. Klarbring, L. D. Virgilio, Shuai Fu, Sheng Qu et al. · Nano letters (Print) 2024 · Cites: 7
5
M. Houtput, Luigi Ranalli, C. Verdi, S. Klimin, Stefano Ragni et al. · Physical review B 2024 · Cites: 6
5
Yunfan Liang, Min Cai, L. Peng, Zeyu Jiang, D. West et al. · Journal of Physics: Condensed Matter 2025 · Cites: 1
5
S. Ulstrup, Yann In 't Veld, Jill A Miwa, A. Jones, K. McCreary et al. · Nature Communications 2024 · Cites: 23
5
Zhenbang Dai, Donghwan Kim, Jon Lafuente-Bartolome, F. Giustino · Journal of Chemical Physics 2025 · Cites: 2
5
Jun Zhan, Yuhao Gu, Xianxin Wu, Jiangping Hu · Physical Review Letters 2025 · Cites: 25
5
Yiming Pan, Patrick-Nigel Hildebrandt, D. Zahn, M. Zacharias, Y. W. Windsor et al. · ACS Nano 2025 · Cites: 6

Score 4 (23)

4
Hailong Wu, Shan Zhong, Yuejing Bin, Xiaoping Jiang, Hao Cui · Molecular Physics 2025 · Cites: 71
4
K. Zollner, M. Kurpas, M. Gmitra, Jaroslav Fabian · Nature Reviews Physics 2025 · Cites: 28
4
O. Saidani, Souraya Goumri‐Said, A. Yousfi, Girija Shankar Sahoo, M. Kanoun · RSC Advances 2025 · Cites: 16
4
A. Meena, J. K. Bairwa, S. Kumari, U. Rani, Peeyush Kumar Kamlesh et al. · Physics and Chemistry of Solid State 2025 · Cites: 15
4
J. D. Gouveia, Tiago L. P. Galvão, Kais Iben Nassar, José R. B. Gomes · npj 2D Materials and Applications 2025 · Cites: 33
4
M. Uddin, M. K. Hossain, Md Borhan Uddin, G. F. Toki, Mohamed Ouladsmane et al. · Advanced Electronic Materials 2024 · Cites: 160
4
H. Rached, D. Rached, M. Caid, L. Amrani, Y. Rached et al. · Journal of Inorganic and Organometallic Polymers and Materials 2025 · Cites: 55
4
A. Ayyaz, Muhammad Abaid Ullah, M. Zaman, N. Alkhaldi, Q. Mahmood et al. · International journal of hydrogen energy 2025 · Cites: 63
4
Qi Dai, Tianyu Tang, Zhiqiao Chen, Yao Wang, Yan-Lin Tang · International journal of hydrogen energy 2025 · Cites: 48
4
Hao Wu, Guozhi Lin, Haonan Xie, Shiqi Li, Haibing He et al. · International journal of hydrogen energy 2025 · Cites: 45
4
Mihade El Akkel, H. Ez-zahraouy · International journal of hydrogen energy 2025 · Cites: 44
4
Xiao-Qian Lin, Xin Zhang, Y. Qin, Yuan-Gen Yao · Langmuir 2025 · Cites: 30
4
Selma Rabhi, Asif Nawaz Khan, Oualid Chinoune, Rania Charif, N. Bouri et al. · Physical Chemistry, Chemical Physics - PCCP 2025 · Cites: 18
4
Haimi Nguyen, Arkajit Mandal, Ankit Mahajan, D. Reichman · Journal of Chemical Physics 2025 · Cites: 2
4
David J. Abramovitch, Jennifer Coulter, Sophie Beck, A. Millis · 2025 · Cites: 10
4
Shiying Shen, Haoran Lu, Shriya Gumber, O. Prezhdo, R. Long · Nano letters (Print) 2025 · Cites: 8
4
Sonia Deswal, Deepu Kumar, D. Rout, Surjeet Singh, Pradeep Kumar · Applied Physics Letters 2025 · Cites: 6

Score 3 (24)

3
Md. Bayjid Hossain Parosh, Md Saiduzzaman, Jahirul Islam, Nusrat Jahan Nisha, Istiak Ahmed Ovi · RSC Advances 2025 · Cites: 16
3
Hamza Rghioui, Mohamed Said Zyane, H. R. Jappor, M. Diani, A. Marjaoui et al. · Journal of Physics and Chemistry of Solids 2025 · Cites: 61
3
Attia Batool, Muhammad Imran Saleem, Youqi Zhu, Xilan Ma, Chuanbao Cao · Computational materials science 2025 · Cites: 33
3
M. Scherbela, Nicholas Gao, P. Grohs, Stephan Gunnemann · arXiv.org 2025 · Cites: 12
3
Hamza Benaali, Youssef Didi, A. Tahiri, Hmad Fatihi, R. Touti et al. · International journal of hydrogen energy 2025 · Cites: 12
3
S. Al-Qaisi, Nazia Iram, N. Sfina, A. Boutramine, H. R. Jappor et al. · Physica B: Condensed Matter 2025 · Cites: 62
3
A. Es-smairi, S. Al-Qaisi, N. Sfina, A. Boutramine, H. R. Jappor et al. · Journal of Computational Chemistry 2025 · Cites: 49
3
Xuexue Pan, Yuanlin Xie, Chujun Li, Yingying He, Yitong Zhang et al. · Journal of Electronic Materials 2025 · Cites: 1
3
Xi Yang, Yuting Li, Yitao Liu, Qian Li, Tingna Yang et al. · Energies 2024 · Cites: 17
3
Shunya Minami, Yoshihiro Hayashi, Stephen Wu, Kenji Fukumizu, Hiroki Sugisawa et al. · npj Computational Materials 2024 · Cites: 9
3
Huiyi Li, Renli Chen, Liang Sun, Yanru Wang, Qilong Liu et al. · Advances in Materials 2024 · Cites: 47
3
L. A. Angeloni, I.-J. Shan, J. Leach, W. A. Schroeder · Journal of Applied Physics 2025 · Cites: 0
3
J. V. Nguepnang, B. Donfack, C. Ekengoue, W. Nganfo, M. R. Kamsap · Indian Journal of Physics 2024 · Cites: 1
3
G. Jayalakshmi, K. Saravanan · Bulletin of Materials Science 2026 · Cites: 0
3
Xiaowei Wu, Zhen Fan, Hangtian Zhu, Tianyu Wang, Mengyuan Liu et al. · Nature Communications 2025 · Cites: 10
3
Yanfeng Shi, Lupeng Wang, Miao Liu, Zuozheng Xu, Peilin Huang et al. · Nature Communications 2025 · Cites: 10
3
Fachen Liu, Ruilin Mao, Zhiqiang Liu, Jinlong Du, Peng Gao · Nature 2025 · Cites: 32

Score 2 (26)

2
Xiang-jun Liu, Zhongqiao Ma, Changqiao Yang, Xiang Li, Jichun Yang et al. · Journal of Rare Earths 2025 · Cites: 35
2
Xiansong Jiang, Wei Yu, Yan Wei, Haijun Wu, Jian Ding et al. · Rare Metals 2025 · Cites: 32
2
Adam Foster, Zeno Schätzle, P. B. Szabó, Lixue Cheng, Jonas Köhler et al. · arXiv.org 2025 · Cites: 17
2
S. S. Beenaben, R. Sankararajan, Srinivasan Manickam, K. Klinton Brito · Materials Science in Semiconductor Processing 2025 · Cites: 19
2
Glenn R. Pastel, T. Pollard, Oleg Borodin, Marshall A Schroeder · Chemical Reviews 2025 · Cites: 15
2
Ruben Goeminne, V. Van Speybroeck · Journal of the American Chemical Society 2025 · Cites: 20
2
Villads R. M. Nielsen, Maxime Grasser, B. le Guennic, Thomas Just So Rensen · Inorganic Chemistry 2025 · Cites: 9
2
F. Bonafé, Esra Ilke Albar, S. Ohlmann, Valeriia P. Kosheleva, Carlos M. Bustamante et al. · Physical review B 2025 · Cites: 12
2
Qing Han, Lijing Wang, Jia Li, Yuxuan Dong, Yibo Ma et al. · Chemical Engineering Journal 2025 · Cites: 76
2
2
Qilan Huang, Qianru Zhang, Shuwen Zhao, Chuchen Zhang, Huixin Guan et al. · Biochar 2025 · Cites: 25
2
Jan Janssen, Janine George, Julian Geiger, Marnik Bercx, Xing Wang et al. · Digital Discovery 2025 · Cites: 1
2
Yuanbin Liu, A. Madanchi, A. Anker, Lena Simine, Volker L. Deringer · Nature Reviews Materials 2024 · Cites: 47
2
Miao Tian, Zhitao Wang, H. Yang, Song Chen · Advanced Energy Materials 2024 · Cites: 17
2
Zhihao Yang, Junsheng Wang, Chi Zhang, Shuo Wang, C. Xue et al. · Materials Genome Engineering Advances 2024 · Cites: 17
2
A. Walsh · Nature Materials 2024 · Cites: 7
2
Zhaoyang Wang, Xuan Liu, Jing Yang, Mengzhao Du, Sun Yin et al. · Journal of Physics: Condensed Matter 2025 · Cites: 1
2
Weijie Gong, Yuechun Li, Bangfeng Fu, Jinrui Shan, Jing Zhou et al. · Analytica Chimica Acta 2025 · Cites: 0
2
Yin Xie, Qian Deng, Yuxuan Yang, Yuange Luo, Wenxin Ou et al. · Small 2024 · Cites: 9
2
Dongdong Zhu, Fei Dai, Haile Lei · Journal of Physics D: Applied Physics 2024 · Cites: 0

Score 1 (29)

1
Xuyang Guo, Jiayan Huo, Zhenmei Shi, Zhao Song, Jiahao Zhang et al. · arXiv.org 2025 · Cites: 24
1
Felix Holst, A. M. Bolger, Felicitas Kindel, Christopher Günther, Janina Maß et al. · Nature Methods 2025 · Cites: 13
1
Hongqing Wu, Ruoyue Tang, Xinrui Ren, Mingrui Wang, Guojie Liang et al. · Combustion and Flame 2025 · Cites: 15
1
Chunjian Zhang, Jinhui Chen, G. Giacalone, Shengli Huang, Jiangyong Jia et al. · Physics Letters B 2025 · Cites: 14
1
H. Bellenbaum, Maximilian P. Bohme, M. Bonitz, T. Doppner, L. Fletcher et al. · 2025 · Cites: 11
1
Tong Wang, Xinheng He, Mingyu Li, Yatao Li, Ran Bi et al. · Nature 2024 · Cites: 109
1
1
L. Burakovsky, D. Preston, D. Errandonea · Journal of Applied Physics 2025 · Cites: 6
1
Mehran Feizi‐Dehnayebi, Ghodsi Mohammadi Ziarani, T. Lohith, Somayyeh Ghareghomi, Zahra Panahande et al. · Journal of Molecular Liquids 2025 · Cites: 65
1
Medine Canakdag, Mehran Feizi‐Dehnayebi, Sevgi Kundu, Dicle Sahin, I. Ilhan et al. · Journal of Molecular Structure 2025 · Cites: 55
1
Y. Rakcho, Mounia Baidou, A. Naboulsi, A. Bouazizi, M. Mouiya et al. · Chemical Engineering Journal 2025 · Cites: 43
1
Jun Liu, Jiayin Li, Yao Chen, Xin Tan, Chun Yang · Diamond and related materials 2025 · Cites: 41
1
Zhengda Yang, Jiayao Song, Guomeng Zhang, Xin Sun, Siyuan Cheng et al. · Journal of Hazardous Materials 2025 · Cites: 24
1
Sevgi Kundu, Mehran Feizi‐Dehnayebi, S. Akkoc · Biochemical and Biophysical Research Communications - BBRC 2025 · Cites: 24
1
Qigui Wang, Andy Wang, Jason Coryell, Dale Gerard, P. Jones et al. · International Journal of Metals 2025 · Cites: 1
1
Jianbo Jiang, Qingwen Qi, M. Li, Hengyong Bu, Huarong Qi et al. · Metals 2025 · Cites: 1
1
Xiao-Gang Lu, Yanlin He, Weisen Zheng · Materials Genome Engineering Advances 2024 · Cites: 27
1
J. Marian, W. Setyawan, Ying Yang, A. Manzoor, W. Zhong et al. · Current opinion in solid state & materials science 2025 · Cites: 5
1
Alireza Zargaran, Timothy Alexander Listyawan, Shailendra Kumar Verma, Ji Hoon Kim, Jeremy Dudo et al. · Materials & Design 2025 · Cites: 2
1
Lu-yao Huang, Weiting Chen, W. Hao, Jinke Wang, Xin Guo et al. · Electrical Materials and Applications 2024 · Cites: 7
1
Jonathon Bracci, Kevin Kaufmann, Jesse Schlatter, James Vecchio, Naixie Zhou et al. · Frontiers in Metals and Alloys 2024 · Cites: 4
1
Adem Korkmaz, T. Yağcı, Osman Çulha · Journal of materials engineering and performance (Print) 2024 · Cites: 2
1
Jingjing Zhang, Hongli Wang, Yue Chi, Wei-wei Zhu, Ying Han et al. · Transactions on Comparative Education 2024 · Cites: 2
1
L. Meegahapola, L. Meegahapola · IEEE pervasive computing 2024 · Cites: 0
1
J. H. Ojeda, Santanu K. Maiti, D. Laroze, Giuseppe Eramo, P. A. Orellana · Journal of Chemical Physics 2025 · Cites: 1
1
Yutong Hao, Qiuxia Lu, Yalin Zhang, Maomao Zhang, Xiaojing Liu et al. · Journal of Chemical Physics 2024 · Cites: 3
1
J. P. Kennedy, M. Coughlan, C. Fitzpatrick, H. Huddleston, J. Smyth et al. · Physical Review Letters 2024 · Cites: 0

Score 5 (5)

5
BerkeleyGW python · ★33 · Python
5
BerkeleyGW examples · ★18 · Standard ML
5
Xatu solves the Bethe-Salpeter equation in solids to obtain the exciton spectrum · ★29 · C++
5
Bethe-Salpeter equation for exciton states in carbon nanotubes · ★6 · FORTRAN
5
Real-space implementation of the Bethe-Salpeter equation · ★5 · Fortran

Score 4 (1)

4
Guide in a markdown page (potential BGW manual update one day) for using BerkeleyGW to calculate one's own materials. · ★5 · Shell