論文

Article AI‐Driven Big Data Frameworks for Electrode–Electrolyte Interphases in Batteries

Abdullah Bin Faheem, Zengyu Han, Dongshuang Wu, Haobo Li

Advanced Materials 38 [11], e21975–e21975

DOI: 10.1002/adma.202521975

Article Empowering modern power systems with thermal energy storage in China: A comprehensive review

Tonglin Jia, Yong Shuai, Fuqiang Wang, Hao Zhang, Dazhi Yang, Boxi Geng, Qingyang Li, Qianying Wu, Ying Xu

Renewable and Sustainable Energy Reviews 235, 116937–116937

DOI: 10.1016/j.rser.2026.116937

Article LLM-based AI agents for automated extraction of material properties and structural features

Soumya Ghosh, Abhishek Tewari

Computational Materials Science 265, 114521–114521

DOI: 10.1016/j.commatsci.2026.114521

Article Multiscale thermoelectric transport: bridging quantum mechanics to macroscopic systems through the Landauer–Boltzmann paradigm

Moustafa I.M. Abdelaziz, Shadi A Eldib, Nageh K. Allam

Journal of Materials Chemistry A 14 [37], 24380–24419

DOI: 10.1039/d6ta01460g

Article Machine learning discovery of medium-entropy thermoelectric materials with ultralow lattice thermal conductivity

Hangyu Zhang, Xianhua Nie, Xinyi Zhang, Ruiqi Wang, Shuai Deng, Li Zhao

Journal of Materials Chemistry A 14 [22], 13735–13751

DOI: 10.1039/d5ta09114d

Article The Impact of Maximum Power Point Tracking Algorithms on Properties of On-Chip PV-Based Energy Harvester for IoT Devices

Adam Hudec, Viera Stopjakova, Robert Ondica, Miroslav Potocny, Lukas Nagy

Sensors 26 [3], 1051

DOI: 10.3390/s26031051

Article Unraveling the Mg Loss Mechanism and Degradation Kinetics in Thermoelectric n‐Type Mg 2 Si‐Mg 2 Sn Solid Solutions

Aryan Sankhla, Eckhard Mueller, Johannes de Boor

Advanced Functional Materials 36 [25]

DOI: 10.1002/adfm.202518107

The Strategic Role of 2D Nanomaterials in Grid Modernization

Matthew Glasscott, James D. Burgess, Peter Byrley, Maria Fernanda Campa, Mark H. Griep, Alexander P. Kirk, Stephanie A. Mack, Birgit Schwenzer, Ryan M. Welch, Elisabeth Mansfield

ACS Energy Letters 11 [2], 972–978

DOI: 10.1021/acsenergylett.5c04047

Article Integration of Machine Learning With PBPK and QSAR Modeling Approaches to Facilitate Drug Discovery and Development

Xinyue Chen, Zhoumeng Lin

CPT Pharmacometrics & Systems Pharmacology 15 [4], e70228–e70228

DOI: 10.1002/psp4.70228

Article Systematically Verified Experimental Thermoelectric Dataset For Data-driven Approaches

Leng Ze Tang, Layla Purdy, Trupti Mohanty, Leonard W. T. Ng, Taylor D. Sparks

Integrating materials and manufacturing innovation 15 [1], 181–193

DOI: 10.1007/s40192-026-00446-5

Article AI-assisted enhancement of thermoelectric properties in the Yb 14− x Ca x Mn 1− y AlySb 11 Zintl system

Junsu Lee, Aziz Ahmed, Tae-Soo You

Journal of Materials Chemistry A 14 [27], 17095–17106

DOI: 10.1039/d6ta00722h

Article Hidden processing drivers of thermoelectric performance in tetrahedrites

Catarina Quitério, Kalpna Rajput, Konstantina Iordanidou, Vetle Øversjøen, Daniel Marchand, Salah Amedi, A.I. de Sá, Paulo Luz, Alvise Bianchin, M. Rosiński, Daniela Gomes, Francisco Molina-Lopez, Filipe Neves, P.A. Carvalho

Open Research Europe 6, 221–221

DOI: 10.12688/openreseurope.24147.1

Article A review on the discovery and design of biodegradable alloys accelerated by machine learning

Andrey A. Kistanov

Applied Materials Today 52, 103409–103409

DOI: 10.1016/j.apmt.2026.103409

Article Construction of 3D Penrose tiling from 3D stars via Minkowski addition

A. A. Polyakov

Journal of Physics Condensed Matter 38 [15], 155401–155401

DOI: 10.1088/1361-648x/ae56c7

Article Reverse design of non-equimolar rare-earth monosilicates: Data-driven and molecular dynamics insights into CMAS corrosion mechanism

Bin Qian, Yu Wang, Keyuan Xu, Jiahao Zu, Jiaqi Liu, Wei Liang, Fangli Yu, Yan Li, Yu Bai

Corrosion Science 268, 113908–113908

DOI: 10.1016/j.corsci.2026.113908

Article Identification, characterization, and structural modelling of octagonal and dodecagonal quasicrystals

Meysam Amini, Chaudhry Muhammad Furqan, Razieh Morad

Materials Today Communications 54, 115773–115773

DOI: 10.1016/j.mtcomm.2026.115773

Article Synthesis of Ti45Zr38Ni17 quasicrystalline ribbons for conventional hydrogen storage

Mikołaj Nowak, Grzegorz Cios, Angelika Kmita, Ł. Gondek, J. Czub, Tomasz Kozieł, Akito Takasaki, Antoni Żywczak

International Journal of Hydrogen Energy 267, 157086–157086

DOI: 10.1016/j.ijhydene.2026.157086

Article Advancements in thin film thermoelectric: progress and perspective on materials and devices

Nurfarhana Ahmad Musri, Angella Th’ng, Izzah Hanim Abd Aziz, Ubaidah Syafiq

Frontiers in Electronic Materials 6

DOI: 10.3389/femat.2026.1769839

Proceedings Analysis of Electronic and Thermoelectric Properties of Janus Ga 2 XY (X, Y = S, Se, Te)

Nisrina Anindya, Melania Suweni Muntini, Nadya Amalia, Sasfan Arman Wella

Journal of Physics Conference Series 3238 [1], 012023–012023

DOI: 10.1088/1742-6596/3238/1/012023

Article Preparation and Thermoelectric Properties of MoS2/ITO Thin Films

Melania Suweni Muntini, Irasani Rahayu, Mekhala Insawang, Sasfan Arman Wella, Muhammad Firdaus, D. R. Rizka Viviana, Yono Hadi Pramono, Wuttichai Roschat, Nguyen Quy Tuan, Tosawat Seetawan, Athorn Vora–ud

Journal of Electronic Materials 55 [9], 7489–7498

DOI: 10.1007/s11664-026-12980-1

Article Quantitative evaluation of thermal contact resistance and performance optimization of thermoelectric generator under multi-condition coordination

Bo Liu, Guoqing Zhang, Chang Wang, Lei Song, Le Ouyang

International Journal of Heat and Mass Transfer 270, 129209–129209

DOI: 10.1016/j.ijheatmasstransfer.2026.129209

Proceedings Path to Energy-Autonomous Systems-On-Chip Through Ultra-Low-Voltage Design and Energy Harvesting

Viera Stopjaková

EAI/Springer Innovations in Communication and Computing, 3–14

DOI: 10.1007/978-3-032-32104-6_1

Article Design principles and engineering approaches for high-performance thermoelectric materials

S. Asha Bhandarkar, Ashok Rao, Anand Pal

Energy Reports 16, 109718–109718

DOI: 10.1016/j.egyr.2026.109718

Article Artificial intelligence-driven nanomaterial design and applications: advances, challenges, and future directions

Yakubu Adekunle Alli, Lukman Sheu Mustapha, Francis Mekunye, Olaoluwa John Adeleke, Terfa Igba, Nelson Oshogwue Etafo, Victor Aderibigbe, Sreedeep Dey, Haulison Kojo Yayoh, Kehinde Shola Obayomi, Malama Chisanga

New Journal of Chemistry

DOI: 10.1039/d6nj02300b

Article Human Oversight as System Design: A Conceptual Reframing of Control in Semi-Autonomous Materials AI

Ahmed El-Kholy, Nour Abdelrahman, Karim Hassan, Mona Saad

Journal of Artificial Intelligence for Materials Science 5 [1]

DOI: 10.68159/s840659201

Article Uncertainty-Conditioned Experiment Planning: A Conceptual Framework for AI-Guided Materials Exploration

Hiroshi Tanaka, Yuki Sato, Kenji Mori, Rina Okabe

Journal of Artificial Intelligence for Materials Science 5 [1]

DOI: 10.68159/p251238849

Article Magnetoelectric properties of nanostructured extruded samples of solid solution Bi 0.85 Sb 0.15 doped with tellurium

M.M. Tagiyev, Kh. F. Aliyeva

Molecular Crystals and Liquid Crystals 770 [7], 1199–1213

DOI: 10.1080/15421406.2026.2651923

Article A combined DFT and machine learning study of Mg-site substitutional doping modulated electronic, optical and transport properties of MgSc2S4 spinels

Sadaf Saba, Syed Muhammad Alay-e-Abbas

Computational Condensed Matter 47, e01342–e01342

DOI: 10.1016/j.cocom.2026.e01342

Article Unravelling optoelectronic and transport properties in double perovskite La2MnRuO6 alloy: insights from DFT

Sabir Makhlouf, Malika Labidi, Salima Labidi, Rachid Masrour

Optical and Quantum Electronics 58 [9]

DOI: 10.1007/s11082-026-09017-6

Article Ideal band structures for high-performance thermoelectric materials with band convergence

Yuya Hattori, Hidetomo Usui, Yoshikazu Mizuguchi

Materials Today Advances 31, 100896–100896

DOI: 10.1016/j.mtadv.2026.100896

Article Thermophysical properties of spark plasma sintered UCo: a comparison with machine learning predictions

Yifan Sun, H. Nakamura, Masaya Kumagai, Yuji Ohishi, Ken Kurosaki

Journal of Nuclear Materials 632, 156924–156924

DOI: 10.1016/j.jnucmat.2026.156924

Article Galvanomagnetic properties of bulk nanostructured extruded Bi0.85Sb0.15 ⟨Te⟩ samples

M. M. Tagiyev, Khadija Aliyeva

Journal of Materials Science Materials in Electronics 37 [21]

DOI: 10.1007/s10854-026-17989-0

Article A Machine Learning Web Application for Real-Time Thermoelectric Property Predictions

Nikhil K. Barua, Vineeth Salla, Holger Kleinke

ACS Omega 11 [31], 45804–45814

DOI: 10.1021/acsomega.6c01225

Article Functionally graded thermoelectric materials/devices: a review on experimental techniques and computational modelling for performance improvement

Shardul Rai, Abhishek Tewari, Ankit Gupta

RSC Advances

DOI: 10.1039/d6ra04804h

Article Decoupled charge and heat transport in Fe2VAl composite thermoelectrics with topological-insulating grain boundary networks

Fabian Garmroudi, Illia Serhiienko, Michael Parzer, Sanyukta Ghosh, Paweł Ziółkowski, Gregor Oppitz, Nguyễn Duy Hiếu, Cédric Bourgès, Yuya Hattori, Alexander Riss, Sebastian Steyrer, Gerda Rogl, P. Rogl, Erhard Schafler, Naoyuki Kawamoto, Eckhard Müller, E. Bauer, Johannes de Boor, Takao Mori

Nature Communications 16 [1], 2976–2976

DOI: 10.1038/s41467-025-57250-6

Article Functional Materials for Environmental Energy Harvesting in Smart Agriculture via Triboelectric Nanogenerators

Rafael Resende Assis Silva, Giulio Fatti, Emanuel Carlos, Guilherme Ferreira, Sumita Goswami, Suman Nandy, L. H. C. Mattoso, Elvira Fortunato, Caio G. Otoni, Rodrigo Martins

Advanced Functional Materials 36 [13]

DOI: 10.1002/adfm.202513924

Article ChatGPT as an Academic Writing Tool: Factors Influencing Researchers’ Intention to Write Manuscripts Using Generative Artificial Intelligence

Manuel B. Garcia

International Journal of Human-Computer Interaction 41 [24], 15514–15528

DOI: 10.1080/10447318.2025.2499158

Article Band degeneracy and convergence in high performing thermoelectric materials

Dezhuang Ji, Natnael F. Haile, Xuan Li, Baosong Li, Moh’d Rezeq, W.J. Cantwell, Lianxi Zheng

Applied Energy 404, 127182–127182

DOI: 10.1016/j.apenergy.2025.127182

Article Large language model-driven database for thermoelectric materials

Suman Itani, Yibo Zhang, Jiadong Zang

Computational Materials Science 253, 113855–113855

DOI: 10.1016/j.commatsci.2025.113855

Article Emerging opportunities for high-temperature solid-state and gas-cycle heat pumps

Andrej Kitanovski, Katja Klinar, Ercang Luo, Miguel Muñoz Rojo, Vladimir Soldo, Luka Boban, Kaiqi Luo, Rui Yang, Xavier Moya

Nature Energy 10 [12], 1412–1426

DOI: 10.1038/s41560-025-01908-4

Article Advancements in thermoelectric materials: Emerging trends in organic, inorganic systems, and material informatics

Satheesh Soumya, Kisa Fatima, S. Lekshmi, S. Govindan Namboothiri, P.K. Krishnapriya, Varsha Arun Shreya, V. Harikrishnan, A. Chithra Mohan, Hyunjin Joh, J. R. Rani, Lokesh Singh Panwar, K. Sreedhar, P. Jayakumar, Shibnath Samanta, Ji Young Jo, Gopinathan Anoop

Journal of Alloys and Compounds 1028, 180661–180661

DOI: 10.1016/j.jallcom.2025.180661

Article SeeBand: a highly efficient, interactive tool for analyzing electronic transport data

Michael Parzer, Alexander Riss, Fabian Garmroudi, Johannes de Boor, Takao Mori, E. Bauer

npj Computational Materials 11 [1]

DOI: 10.1038/s41524-025-01645-y

Article Recent strides in artificial intelligence for predicting thermoelectric properties and materials discovery

Nikhil K. Barua, Sangjoon Lee, Anton O. Oliynyk, Holger Kleinke

Journal of Physics Energy 7 [2], 021001–021001

DOI: 10.1088/2515-7655/adba87

Article Thermoelectric algebra made simple for thermoelectric generator module performance prediction under constant Seebeck coefficient approximation

Byungki Ryu, Jaywan Chung, SuDong Park

Journal of Applied Physics 137 [5]

DOI: 10.1063/5.0242991

Article Integrating photothermal CuS-nanowire meshes with thermoelectric modules for efficient solar energy conversion

Magnolia Pak, Subon Hwang, Hye-Ryeon Jang, Hyunju Kim, Hyunju Kim, Min Gyu Lee, Younghun Kim

Solar Energy 296, 113594–113594

DOI: 10.1016/j.solener.2025.113594

Article Advances in theory and computational methods for next-generation thermoelectric materials

Junsoo Park, Alex M. Ganose, Yi Xia

Applied Physics Reviews 12 [1]

DOI: 10.1063/5.0241645

Article Highly Deformable Van der Waals Chalcogenides with Superior Thermoelectric Performance from Interpretable Machine Learning

Qi Ren, Bonan Zhu, Gang Tang, Jiawang Hong

Small 21 [12], e2412745–e2412745

DOI: 10.1002/smll.202412745

Article Tetrahedrite Nanocomposites for High Performance Thermoelectrics

Rodrigo Coelho, Duarte Moço, A.I. de Sá, Paulo P. da Luz, Filipe Neves, Maria de Fátima Cerqueira, Elsa B. Lopes, F. P. Brito, Panagiotis Mangelis, Theodora Kyratsi, A.P. Gonçalves

Nanomaterials 15 [5], 351–351

DOI: 10.3390/nano15050351

Article Statistical and artificial intelligence approaches towards the optimization of thermoelectric materials synthesis: a review

Wei‐Hsin Chen, K. Aishwarya, Kripasindhu Sardar

Energy Materials 5 [9]

DOI: 10.20517/energymater.2024.311

Article Revisiting hydrogen trapping in Mg32(Al, Zn)49 approximant crystal: Influence of chemical disorder

Kazuyuki Shimizu, Masatake Yamaguchi, Satoshi Akamaru, K. Nishimura, Rion Abe, Taisuke Sasaki, Yafei Wang, Hiroyuki Toda

Scripta Materialia 265, 116730–116730

DOI: 10.1016/j.scriptamat.2025.116730

Article Advanced porous thermoelectric materials: Design, construction, and application

Ruoyan Li, Bangzhi Ge, Chongjian Zhou

Nano Research 18 [4], 94907308–94907308

DOI: 10.26599/nr.2025.94907308

Article Thermoelectric Performance Predictions Combining Experiments with Multi‐Band Modelling

Bharti Agrawal, Titas Dasgupta

Advanced Theory and Simulations 8 [5]

DOI: 10.1002/adts.202401222

Article Multi-factor design of radioisotope thermoelectric generators: an extensive review

Yongjia Wu, Zhaojun Chen, Peng Zhang, Wenqian Liu, Dongcheng Liu, Tingzhen Ming

Applied Thermal Engineering 280, 128045

DOI: 10.1016/j.applthermaleng.2025.128045

Article Metallography of Quasicrystals in Al-Alloys

Tonica Bončina, Franc Zupanič

Materials 18 [19], 4575–4575

DOI: 10.3390/ma18194575

Article Solar-assisted waste heat utilisation coupled with thermal energy storage for electricity production: technical and economic assessment

Ilia Skorniakov, Timo Laukkanen, Behnam Talebjedi, Henrik Holmberg

Applied Thermal Engineering 278, 127417–127417

DOI: 10.1016/j.applthermaleng.2025.127417

Article The role of lattice defects for structural, mechanical, and physical properties of HPT processed p-type skutterudite DD0.7Fe3CoSb12

Gerda Rogl, Vilma Buršíková, V.V. Romaka, Peter Cengeri, Jiřı́ Buršı́k, Erhard Schafler, M. Zehetbauer, P. Rogl

Acta Materialia 296, 121290–121290

DOI: 10.1016/j.actamat.2025.121290

Article Explainable machine learning-guided design of high-performance thermoelectric materials

Song Li, Songli Dai, Shiyu Xiao, Zhi Yu, Heng Wang, Zean Tian

Journal of Alloys and Compounds 1037, 182164–182164

DOI: 10.1016/j.jallcom.2025.182164

Article Development of a Next-Generation Thermopile Detector for Cold-Body Space Applications

Byeong Ho Eom, Brian Pepper, Ricardo Braga Nogueira Branco, B. T. Greenhagen, Matthew Kenyon

IEEE Sensors Journal 25 [19], 35819–35827

DOI: 10.1109/jsen.2025.3595487

Article A materials map integrating experimental and computational data via graph-based machine learning for enhanced materials discovery

Yusuke Hashimoto, Xue Jia, Hao Li, Takaaki Tomai

APL Machine Learning 3 [3]

DOI: 10.1063/5.0274812

Article Assessing data-driven predictions of band gap and electrical conductivity for transparent conducting materials

Federico Ottomano, John Y. Goulermas, Vladimir V. Gusev, Rahul Savani, Michael W. Gaultois, Troy D. Manning, Hai Lin, Teresa Partida Manzanera, Emma Poole, Matthew S. Dyer, John B. Claridge, Jonathan Alaria, Luke M. Daniels, Su Varma, D E Rimmer, Kevin D. Sanderson, Matthew J. Rosseinsky

Digital Discovery 4 [7], 1794–1811

DOI: 10.1039/d5dd00010f

Article Optimizing data extraction from materials science literature: a study of tools using large language models

Wenkai Ning, Musen Li, Jeffrey R. Reimers, Rika Kobayashi

Digital Discovery 5 [2], 698–715

DOI: 10.1039/d5dd00482a

Article Unsupervised Machine Learning-Based Image Recognition of Raw Infrared Spectra: Toward Chemist-like Chemical Structural Classification and Beyond Numerical Data

Kentaro Fuku, Takefumi Yoshida

Journal of Chemical Information and Modeling 65 [7], 3176–3185

DOI: 10.1021/acs.jcim.4c01644

Article High throughput and machine learning approaches for thermoelectric materials

Eric S. Toberer, Andrew C. Novick, Elif Ertekin

MRS Bulletin 50 [8], 966–977

DOI: 10.1557/s43577-025-00956-1

Article Mathematical and simulation modeling of photovoltaic systems utilizing thermoelectric modules for effective thermal management

Muhammad Sohaib Tahir, Xue Dong, Muhammad Mansoor Khan

Results in Engineering 27, 106344

DOI: 10.1016/j.rineng.2025.106344

Article A Data-Driven Framework for Accelerated Modeling of Stacking Fault Energy from Density of States Spectra

Md Tohidul Islam, Scott Broderick

Crystals 15 [5], 390–390

DOI: 10.3390/cryst15050390

Article Thermal and Interfacial Stability of PPS-Fabricated Segmented Skutterudite Legs for Thermoelectric Applications

Mirosław J. Kruszewski

Materials 18 [13], 2923–2923

DOI: 10.3390/ma18132923

Article Study the characterization and thermoelectrical properties of the polyvinyl alcohol / Polyaniline polymer blend thick films

M. Morad, Magdy S. Abo Ghazala, M.G. El-Shaarawy, M. E. Gouda, T. Y. Elrasasi

Discover Nano 20 [1], 195–195

DOI: 10.1186/s11671-025-04267-x

Article Wiedemann–Franz law and thermoelectric inequalities: Effective ZT and single-leg efficiency overestimation

Byungki Ryu, Seunghyun Oh, Wabi Demeke, Jaywan Chung, Jongho Park, Nirma Kumari, Aadil Fayaz Wani, Seunghwa Ryu, SuDong Park

Journal of Applied Physics 137 [11]

DOI: 10.1063/5.0247466

Book chapter Basics of machine learning

Julhash U. Kazi

Elsevier eBooks, 29–63

DOI: 10.1016/b978-0-443-27374-2.00002-9

Article A review of machine learning approaches for the discovery of thermoelectric materials

Övgü Ceyda Yelgel, Celal Yelgel

Advances in Physics X 10 [1]

DOI: 10.1080/23746149.2025.2536269

Article Machine learning–driven thermoelectric materials: Review on prediction, optimization, and discovery

Xinmei Zhang, Xingxing Wang, Wei Wang, Zhipeng Yuan, Jin Peng, J M Shi, Peng He, Yunfeng Chang

Journal of Alloys and Compounds 1050, 185711–185711

DOI: 10.1016/j.jallcom.2025.185711

Article Advancements in buildings integration of the photovoltaic cells and thermoelectric modules

D.T. Cotfas, P.A. Cotfas, C.A. García Vázquez, O. Pérez Baluja, B.Y. León Ávila

Energy Strategy Reviews 62, 101908

DOI: 10.1016/j.esr.2025.101908

Article Enhancing thermoelectric performance in 1D tellurium nanostructures via controlled Cu and Sn ion Bi-doping sequences

Jaehee Yeom, In Ho Kim, Eun Joo An, Hyeok‐jin Kwon, Yong Jin Jeong

Ceramics International 51 [17], 23772–23778

DOI: 10.1016/j.ceramint.2025.03.066

Article Nonlinear corrections to the thermoelectric efficiency of a nanoscale device

Ralf Hartig, I. Grosu, I. Ţifrea

Physica E Low-dimensional Systems and Nanostructures 175, 116383–116383

DOI: 10.1016/j.physe.2025.116383

Article Explainable Recommendation Engines to Predict Complex Intermetallics: Synthesis and Characterization of Gd10RuCd3, a Neutron Absorption Material

Brook Xhabrahimi, Emil I. Jaffal, Danila Shiryaev, Nikhil K. Barua, Madison Donohoe, Natalia Pozdnyakova, Mariam Ismail, Balaranjan Selvaratnam, Ehsan Niknam, Holger Kleinke, Anton O. Oliynyk

Journal of the American Chemical Society 147 [40], 36589–36603

DOI: 10.1021/jacs.5c11646

Article Machine Learning Predictions of Thermopower for Thermoelectric Material Screening

Nikhil K. Barua, Holger Kleinke

ACS Applied Energy Materials 8 [21], 16110–16121

DOI: 10.1021/acsaem.5c02609

Article Innovation in thermoelectric materials: From fundamental physics to practical applications

Sepideh Akhbarifar, Mona Zebarjadi

MRS Bulletin 50 [8], 894–901

DOI: 10.1557/s43577-025-00949-0

Article Computational Analysis of Transient Solidification Kinetics in Aluminum-Based Multicomponent Alloys for Graphical LHTES Modelling

Ivaldo L. Ferreira, Natália Cristina A. Costa, Gueber Elias M. Santos Júnior, Fabrícia S. Gonzaga, Antonio Luciano S. Moreira

Journal of Materials and Engineering 3 [1], 40–51

DOI: 10.61552/jme.2025.01.002

Article Machine learning prediction of dielectric constant in NBT–KBT composites via frequency–temperature response

Sonia Bhandari, Aarti Bhandari

Solid State Communications 409, 116306–116306

DOI: 10.1016/j.ssc.2025.116306

Proceedings Simulation-Based Capacitive Imaging for Internal Defect Detection in Dielectric Materials

F. Benlakhdar, Wahiba Djerir, Abdelkader Safou, Mohand Tazerout, K. Sedda, Mohamed Souilah

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DOI: 10.1109/icaeccs68240.2025.11384799

Article Transformative applications of artificial intelligence in lithium battery materials science: advancements and future prospects

Guangcun Shan, Zejian Ding, Liujiang Xi, Hongbin Zhao, Jiliang Zhang, Feng Xu

Rare Metals 44 [12], 9747–9762

DOI: 10.1007/s12598-025-03617-z

Article Automatic Determination of Quasicrystalline Patterns from Microscopy Images

Tano Kim Kender, Marco Corrias, Cesare Franchini

Advanced Intelligent Discovery 2 [4]

DOI: 10.1002/aidi.202500043

Article Excellent Thermoelectric Performance of Monolayer ZrTe 5 and Its Near‐Room Temperature Modulation by Uniaxial Strain

Rongman Gao, Liangyu Li, Zhenyu Ding, Zhiwei Wang, Miao Li, Yuqiang Liu, Gang Wu, Xiaoping Yang

Advanced Quantum Technologies 8 [11]

DOI: 10.1002/qute.202500187

Article Scientific Risk in Autonomous Materials Discovery: A Conceptual Framework for Anticipating Unsafe Recommendations

Hiroshi Nakamura, Yuta Kato

Journal of Artificial Intelligence for Materials Science 4 [2]

DOI: 10.68159/n815660688

Article Data Is Not Neutral: A Conceptual Framework for Value-Laden Measurement Choices in Materials Informatics

Sanjay Kulkarni, Meenal Joshi, Rohan Patil

Journal of Artificial Intelligence for Materials Science 4 [2]

DOI: 10.68159/c056158743

Article Uncertainty analysis of microscopic parameters obtained from the single parabolic band modeling of thermoelectric materials

Harshita Naithani, Eckhard Müller, Johannes de Boor

Physical Review Applied 24 [4]

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Article Application of a Numerical Model for the Multicomponent Alloy Solidification to a Phase Change Material Applied in Latent Heat Thermal Energy Storage

I.L. Ferreira, N.C.A. Costa, G.E.M. Santos Júnior, F.S. Gonzaga, A.L.S. Moreira

Materials Research 28 [suppl 1]

DOI: 10.1590/1980-5373-mr-2025-0069

Article Extrapolative prediction of small-data molecular property using quantum mechanics-assisted machine learning

Hajime Shimakawa, Akiko Kumada, Masahiro Sato

npj Computational Materials 10 [1]

DOI: 10.1038/s41524-023-01194-2

Article Development and application of Few-shot learning methods in materials science under data scarcity

Yongxing Chen, Long Peng, Bin Liu, Yi Wang, Junlong Wang, Tian Ma, Huilin Wei, Yue Kang, Haining Ji

Journal of Materials Chemistry A 12 [44], 30249–30268

DOI: 10.1039/d4ta06452f

Article Machine learning based feature engineering for thermoelectric materials by design

U. S. Vaitesswar, Daniil Bash, Tan Huang, Jose Recatala‐Gomez, Tianqi Deng, Shuo‐Wang Yang, Xiaonan Wang, Kedar Hippalgaonkar

Digital Discovery 3 [1], 210–220

DOI: 10.1039/d3dd00131h

Article Thermoelectric Material Performance (zT) Predictions with Machine Learning

Nikhil K. Barua, Sangjoon Lee, Anton O. Oliynyk, Holger Kleinke

ACS Applied Materials & Interfaces 17 [1], 1662–1673

DOI: 10.1021/acsami.4c19149

Article Are topological insulators promising thermoelectrics?

Michael Y. Toriyama, G. Jeffrey Snyder

Materials Horizons 11 [5], 1188–1198

DOI: 10.1039/d3mh01930f

Article Evaluation and Optimization Methods for Applicability Domain Methods and Their Hyperparameters, Considering the Prediction Performance of Machine Learning Models

Hiromasa Kaneko

ACS Omega 9 [10], 11453–11458

DOI: 10.1021/acsomega.3c08036

Article Structural, magnetic, electronic, optical and thermoelectric properties of the new CrEuAu2 compound

A. Jabar, S. Idrissi, L. Bahmad

Chinese Journal of Physics 88, 913–921

DOI: 10.1016/j.cjph.2024.01.008

Article How efficient are thermoelectric materials? – An assessment of state-of-the-art individual and segmented thermoelectric materials

Carlos Nuñez Lobato, Vincenzo Esposito, Nini Pryds, Dennis Valbjørn Christensen

Materials Today Energy 43, 101564–101564

DOI: 10.1016/j.mtener.2024.101564

Article Interpretable Machine Learning Model on Thermal Conductivity Using Publicly Available Datasets and Our Internal Lab Dataset

Nikhil K. Barua, E. L. Hall, Yifei Cheng, Anton O. Oliynyk, Holger Kleinke

Chemistry of Materials 36 [14], 7089–7100

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Article Superstrength permanent magnets with iron-based superconductors by data- and researcher-driven process design

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Article Impact of data bias on machine learning for crystal compound synthesizability predictions

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Machine Learning Science and Technology 5 [4], 040501–040501

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Article Unveiling Crucial Chemical Processing Parameters Influencing the Performance of Solution‐Processed Inorganic Thermoelectric Materials

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Article Electrochemical polymerization of polyaniline/single-walled carbon nanotube bilayer films with enhanced thermoelectric properties

Chi Wang, Yannan Wang, Ze-Miao Xiong, Can Jiang, Yunfei Zhang, Ping Fu, Feipeng Du

Progress in Organic Coatings 194, 108612–108612

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Article Integrating machine learning with advanced processing and characterization for polycrystalline materials: a methodology review and application to iron-based superconductors

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Science and Technology of Advanced Materials 26 [1], 2436347–2436347

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Article Ultra low lattice thermal conductivity and exceptional thermoelectric conversion efficiency in rippled MoS2

Surabhi Suresh Nair, Nirpendra Singh

Materials Today Nano 29, 100561–100561

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Article Enhancing n-type PbTe thermoelectric performance through Cd alloying and strategic defects management

Zhiyu Chen, Mancang Li, Zhang Chen, Yu Wang, Yu Wang, Daijie Zhou, Xueliang Huang, Zhang Xin-hu, Rui Guo, Xianbo Liu, Zhengshang Wang

Journal of Alloys and Compounds 1002, 175183–175183

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Article Transient real-weather 4E optimization of two-stage segmented thermoelectric generators for enhanced solar energy conversion

Chika Maduabuchi, Kingsley Okoli

Applied Energy 373, 123881–123881

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Article Classification-Based Detection and Quantification of Cross-Domain Data Bias in Materials Discovery

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Article Clustering method for the construction of machine learning model with high predictive ability

Hiromasa Kaneko

Chemometrics and Intelligent Laboratory Systems 246, 105084–105084

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Article Predicting High‐Performance Thermoelectric Materials With StarryData2

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Article https://2DMat.ChemDX.org: Experimental data platform for 2D materials from synthesis to physical properties

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Article Thermal transport in thermoelectric materials of SnSSe and SnS 2 : A non-equilibrium Monte-Carlo simulation of Boltzmann transport equation

Seyedeh Ameneh Bahadori, Zahra Shomali

Case Studies in Thermal Engineering 57, 104377–104377

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Article Dynamics of a Self-Excited Vibrating Thermal Energy Harvester with Shape Memory Alloys and PVDF Cantilevers

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Article In-situ observation of temperature dependent microstructural changes in HPT-produced p-type skutterudites

Gerda Rogl, Vilma Buršı́ková, Kunio Yubuta, Haruka Murayama, Kohei Sato, Wakaba Yamamoto, Akira Yasuhara, P. Rogl

Journal of Alloys and Compounds 977, 173431–173431

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Article Promises and Perils of Big Data: Philosophical Constraints on Chemical Ontologies

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Article Preparation and properties of graphite-based “light–heat–electricity” conversion materials

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Article Antibonding Cu (d)–Te (p) states and bonding inhomogeneity in inducing low lattice thermal conductivity and extraordinary thermoelectric properties of the layered heteroanionic NdCuOTe material: a first-principles study

Shuwei Tang, Wanrong Guo, Da Wan, Xiaodong Li, Tuo Zheng, Hao Wang, Qingshun Quinn Li, Xiuling Qi, Shu‐Lin Bai

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Article Thermophysical characterization of UFe3B2 and USiNi: An experimental study

Yifan Sun, Y. Miyawaki, Masaya Kumagai, Shun Fujieda, Hiroaki Muta, Ken Kurosaki, Yuji Ohishi, Yuji Ohishi

Journal of Nuclear Materials 595, 155048–155048

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Proceedings Developing a New Web Service for Experimental Nuclear Reaction Database (EXFOR) Using RESTful API and JSON

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Article Natural Language Processing for Materials Informatics of Literature Data

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Article Unveiling Crucial Chemical Processing Parameters Influencing the Performance of Solution‐Processed Inorganic Thermoelectric Materials

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Article Impact of porous silicon thickness on thermoelectric properties of silicon-germanium alloy films produced by electrochemical deposition of germanium into porous silicon matrices followed by rapid thermal annealing

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Article The “Applicability Domain” Problem in Materials AI: A Theoretical Treatment of When Models Should Stay Silent

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Article A critical examination of robustness and generalizability of machine learning prediction of materials properties

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Article Interpretation of Machine Learning Models for Data Sets with Many Features Using Feature Importance

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Article Machine learning-based optimization of segmented thermoelectric power generators using temperature-dependent performance properties

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Article Machine-learning-assisted discovery of 212-Zintl-phase compounds with ultra-low lattice thermal conductivity

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Article A simple Pb-doping to achieve bonding evolution, VSn and resonant level shifting for regulating thermoelectric transport behavior of SnTe

Xu-Ye Xin, Jun Ma, Hongquan Liu, Yijie Gu, Yanfang Wang, Hongzhi Cui

Journal of Material Science and Technology 151, 66–72

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Article TEXplorer.org: Thermoelectric material properties data platform for experimental and first-principles calculation results

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Article Towards energy filtering in Mg2X-based composites: Investigating local carrier concentration and band alignment via SEM/EDX and transient Seebeck microprobe analysis

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Materials Today Physics 38, 101244–101244

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Article Thermodynamic analysis of electric to thermal heating pathways coupled with thermal energy storage

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Article Not as simple as we thought: a rigorous examination of data aggregation in materials informatics

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Article Thermodynamic and electron transport properties of Ca3Ru2O7 from first-principles phonon calculations and Boltzmann transport theory

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Article Printable graphite-based thermoelectric foam for flexible thermoelectric devices

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Article Experiment and Theory in Concert To Unravel the Remarkable Electronic Properties of Na-Doped Eu11Zn4Sn2As12: A Layered Zintl Phase

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Article Solving Long-standing Problems in Thermoelectric Properties using Machine Learning

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Article A multiclass classification model for predicting the thermal conductivity of uranium compounds

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Article Simulation Model of Double Motors Screw Unit with a Solid Rotor in ANSYS Twin Builder

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Article Design Features of the Screw Unit for Processing Bulk Substances

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Article Investigation of the Features of the Thermovoltaic Effect in GaSb, GaAs and GaP Binary Compounds

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Article Algorithmic Path Dependence in AI-Driven Materials Design

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Article Recent advances and challenges in experiment-oriented polymer informatics

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Article A deep learning perspective into the figure-of-merit of thermoelectric materials

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Article Y 2 Te 3 : A New n-Type Thermoelectric Material

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Proceedings Machine Learning Approaches for Accelerating the Discovery of Thermoelectric Materials

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Article True Gaussian mixture regression and genetic algorithm-based optimization with constraints for direct inverse analysis

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Article Active learning for noisy physical experiments with more than two responses

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Article Physical Insights on the Lattice Softening Driven Mid‐Temperature Range Thermoelectrics of Ti/Zr‐Inserted SnTe—An Outlook Beyond the Horizons of Conventional Phonon Scattering and Excavation of Heikes’ Equation for Estimating Carrier Properties

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Article Artificial intelligence for search and discovery of quantum materials

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Article Pseudo Generation of Metallographic Images and Verification of Superiority for Discrimination Problems -Applying Adversarial Generative Networks-

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Article Recent advances and future prospects in energy harvesting technologies

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Article Direct inverse analysis based on Gaussian mixture regression for multiple objective variables in material design

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Article Monolayer Ag 2 S: Ultralow Lattice Thermal Conductivity and Excellent Thermoelectric Performance

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Article Design of thermoelectric materials with high electrical conductivity, high Seebeck coefficient, and low thermal conductivity

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Article Criteria for power factor improvement in thermoelectric composite

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