Papers citing Materials Screening for the Discovery of New Half-Heuslers: Machine Learning versus ab Initio Methods
Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems
Chemical Reviews · 2021
John A. Keith, Valentín Vassilev-Galindo, Bingqing Cheng, Stefan Chmiela, Michael Gastegger, Klaus‐Robert Müller, Alexandre Tkatchenko
Read original paper ↗ ·Some properties of LiInSi half-Heusler alloy via density functional theory
Bulletin of Materials Science · 2021
Emel Kılıt Dogan, Sinem Erden Gülebağlan
Read original paper ↗ ·Machine learning for alloys
Nature Reviews Materials · 2021
Gus L. W. Hart, Tim Mueller, Cormac Toher, Stefano Curtarolo
Read original paper ↗ ·Recent machine learning guided material research - A review
Computational Condensed Matter · 2021
Mohammad Asaduzzaman Chowdhury, Nayem Hossain, Md. Bengir Ahmed Shuvho, Mohammad Fotouhi, Md Sakibul Islam, Md. Ramjan Ali, Mohammod Abul Kashem
Read original paper ↗ ·Crystal graph attention networks for the prediction of stable materials
Science Advances · 2021
Jonathan Schmidt, Love Pettersson, Claudio Verdozzi, Silvana Botti, Miguel A. L. Marques
Read original paper ↗ ·Preparation and In‐Situ High‐Throughput Screening of Bi Thixotropic Ink
Advanced Materials Interfaces · 2021
Lei Jiang Yao, Zhuoming Xu, Junhao Qiu, Jian Zhang, Dongwang Yang, Yonggao Yan, Xinfeng Tang
Read original paper ↗ ·Machine learning guided microwave-assisted quantum dot synthesis and an indication of residual H 2 O 2 in human teeth
Nanoscale · 2022
Quan Xu, Yaoyao Tang, Peide Zhu, Weiye Zhang, Yuqi Zhang, Oliver Sanchez Solis, Travis Shihao Hu, Juncheng Wang
Read original paper ↗ ·Mysteriöse Materialien
Künstliche Intelligenz · 2022
Michael L. Gross
Read original paper ↗ ·Random projections and kernelised leave one cluster out cross validation: universal baselines and evaluation tools for supervised machine learning of material properties
Digital Discovery · 2022
Samantha Durdy, Michael W. Gaultois, Vladimir V. Gusev, Danushka Bollegala, Matthew J. Rosseinsky
Read original paper ↗ ·Effect of (Na, Si, Al, K or Ca) doping on the electronic structure and optoelectronic properties of half-Heusler LiMgN alloy: Ab initio framework
Solid State Communications · 2022
Younes Ziat, Zakaryaa Zarhri, Maryama Hammi, Hamza Belkhanchi, Ousama Ifguis, Andrés Domínguez Cano, Alicia Carrillo-Bastos
Read original paper ↗ ·Effect of interfacial bridging atoms on the strength of Al/CNT composites: machine-learning-based prediction and experimental validation
Journal of Materials Research and Technology · 2022
Keun-Won Lee, Hansol Son, Ki Sub Cho, Hyunjoo Choi
Read original paper ↗ ·Structural, elastic, mechanical, electronic, magnetic and optical properties of half-Heusler compounds CoFeZ (Z = P, As, Sb): A GGA+U approximation
Materials Science in Semiconductor Processing · 2022
Sonila Zahir, Nasir Mehmood, Rashid Ahmad, Sajid Ullah Khan, Altaf Ur Rahman, Alaa Dahshan
Read original paper ↗ ·Machine Learning in Materials Chemistry: An Invitation
Machine Learning with Applications · 2022
Daniel M. Packwood, Linh Thi Hoai Nguyen, Pierluigi Cesana, Guoxi Zhang, Aleksandar Staykov, Yasuhide Fukumoto, Đình Hòa Nguyễn
Read original paper ↗ ·Machine learning assisted discovering of new M 2 X 3 ‐type thermoelectric materials
Rare Metals · 2022
Du Chen, Feng Jiang, Liang Fang, Yongbin Zhu, Caichao Ye, Weishu Liu
Read original paper ↗ ·First-principles study of optoelectronic and thermoelectric properties of LiCaX (X=N, P and As) half-Heusler semiconductors
Journal of Solid State Chemistry · 2022
Abdelouahid Azouaoui, Ahmed Hourmatallah, Najib Benzakour, Khalid Bouslykhane
Read original paper ↗ ·Heusler alloys for metal spintronics
MRS Bulletin · 2022
Atsufumi Hirohata, David C. Lloyd
Read original paper ↗ ·Machine-learning-assisted discovery of empirical rule for inherent brittleness of full Heusler alloys
Journal of Material Science and Technology · 2022
Haoxuan Liu, Haile Yan, Nan Jia, Shuai Tang, Daoyong Cong, Bo Yang, Zongbin Li, Yudong Zhang, Claude Esling, Xiang Zhao, Liang Zuo
Read original paper ↗ ·Orbital angular momentum optical communications enhanced by artificial intelligence
Journal of Optics · 2022
Baoli Li, Haitao Luan, Keyao Li, Qinyu Chen, Weijia Meng, Ke Cheng, Miṅ Gu, Xinyuan Fang
Read original paper ↗ ·Computational study of structural, electronic, elastic and vibrational properties of LiAlSi, NaAlSi, and KAlSi Half-Heusler alloys
Indian Journal of Physics · 2022
Sabrina Bounab, Abdelouahb Bentabet
Read original paper ↗ ·Machine learned synthesizability predictions aided by density functional theory
Communications Materials · 2022
Andrew S. Lee, Suchismita Sarker, James E. Saal, Logan T. Ward, Christopher K. H. Borg, Apurva Mehta, Christopher Wolverton
Read original paper ↗ ·Machine‐Learning‐Assisted Determination of the Global Zero‐Temperature Phase Diagram of Materials
Advanced Materials · 2023
Jonathan Schmidt, Noah Hoffmann, Hai‐Chen Wang, Pedro Borlido, Pedro J. M. A. Carriço, Tiago F. T. Cerqueira, Silvana Botti, Miguel A. L. Marques
Read original paper ↗ ·Roadmap on thermoelectricity
Nanotechnology · 2023
Cristina Artini, Giovanni Pennelli, Patrizio Graziosi, Zhen Li, Neophytos Neophytou, Claudio Melis, Luciano Colombo, Eleonora Isotta, Ketan Lohani, Paolo Scardi, Alberto Castellero, Marcello Baricco, Mauro Palumbo, Silvia Casassa, Lorenzo Maschio, Marcella Pani, Giovanna Latronico, Paolo Mele, Francesca Di Benedetto, Gaetano Contento, Maria Federica De Riccardis, R. Fucci, Barbara Palazzo, A. Rizzo, Valeria Demontis, Domenic Prete, Muhammad Isram, Francesco Rossella, Alberto Ferrario, Alvise Miozzo, Stefano Boldrini, Elisabetta Dimaggio, Franzini M., Simone Galliano, Claudia Barolo, Saeed Mardi, Andrea Reale, Bruno Lorenzi, Dario Narducci, Vanira Trifiletti, Silvia Milita, A. Bellucci, Daniele Maria Trucchi
Read original paper ↗ ·Influence of pressure on structural stability and physical properties of NaCaZ (Z=N, P and As) half-Heusler semiconductor materials
International Journal of Modern Physics B · 2023
Abdelouahid Azouaoui, Amine Harbi, M. Moutaabbid, Najib Benzakour, Ahmed Hourmatallah, Khalid Bouslykhane, Rachid Masrour, A. Chahboun
Read original paper ↗ ·Machine learning prediction of thermal and elastic properties of double half-Heusler alloys
Materials Chemistry and Physics · 2023
А. Н. Филанович, А. А. Повзнер, Alexey V. Lukoyanov
Read original paper ↗ ·Principles of Machine Learning and Its Application to Thermal Barrier Coatings
Coatings · 2023
Yuan Liu, Kuiying Chen, Amarnath Kumar, Prakash Patnaik
Read original paper ↗ ·Machine learning framework to predict instantaneous heat release rate of polymer nanocomposites in cone calorimetry
Polymer Degradation and Stability · 2023
Junchen Xiao, Jose Hobson, Maciej Harańczyk, De‐Yi Wang
Read original paper ↗ ·Structural, Electronic, and Magnetic Characteristics of Co1-xFexMnSb: Insight from DFT Computation
Journal of Superconductivity and Novel Magnetism · 2023
L. Boumia, F. Semari, M. Mokhtari, Fethallah Dahmane, Mohammed S. Abu-Jafar, A. Boumaza, Muhammad Waqas Iqbal, Hocine Meradji, R. Khenata, Saad Bin-Omran
Read original paper ↗ ·Machine Learning-Based Predictions for Half-Heusler Phases
Inorganics · 2023
Kaja Bilińska, Maciej J. Winiarski
Read original paper ↗ ·Machine-learning guided prediction of thermoelectric properties of topological insulator Bi 2 Te 3− x Se x
Journal of Materials Chemistry C · 2024
K E Vipin, Prahallad Padhan
Read original paper ↗ ·Predictive analysis of a new FeVTe alloy from first principles: An excellent choice for thermoelectric applications
Computational Condensed Matter · 2024
Nelson Oyindenyifa Nenuwe, Ayodeji S. Yebovi
Read original paper ↗ ·Bibliometric Analysis: Collaboration Networks In Discovery Learning Research
Jurnal Penelitian Pendidikan IPA · 2024
Andi Suparjo, Edwin Musdi, Yerizon Yerizon, I Made Arnawa
Read original paper ↗ ·Alloys innovation through machine learning: a statistical literature review
Science and Technology of Advanced Materials Methods · 2024
Alireza Valizadeh, Ryoji Sahara, Maaouia Souissi
Read original paper ↗ ·Iridium's influence on the structural, electronic and mechanical characteristics of ZrCo1-xIrxSb half-heusler alloys
Physica B Condensed Matter · 2024
B Abdelkebir, Zoulikha Charifi, Hakim Baaziz, Torkia Ghellab, R. Khenata, Saad Bin-Omran
Read original paper ↗ ·Classification enhanced machine learning model for energetic stability of binary compounds
Computational Materials Science · 2024
Yaqi Liu, Ziran Liu, Tengfei Xu, Dominik Legut, Xingyao Yin, Ruifeng Zhang
Read original paper ↗ ·Highly Refractive Transparent Half‐Heuslers for Near Infrared Optics and Their Material Design
Advanced Optical Materials · 2024
Akihiro Ishii, Ruon Katsuragi, Satoru Tanaka, Itaru Oikawa, Masaaki Imura, Hitoshi Takamura
Read original paper ↗ ·Phase Prediction via Crystal Structure Similarity in the Periodic Number Representation
Inorganic Chemistry · 2024
Cem Oran, Riccarda Caputo, Pierre Villars, Hasan Bilal Özcü, Feraye Hatice Canbaz, Adem Tekin
Read original paper ↗ ·Predicting and Enhancing Ductility in X2YZ-type Heusler Alloys Using Machine Learning and Abinitio Calculations
International Conference on Image Processing, Computer Vision and Machine Learning (ICICML) · 2024
Haoxuan Liu, Xiang Zhao, Haile Yan
Read original paper ↗ ·Comprehensive DFT study on the physical properties of the CsNaICl quaternary Heusler compound
Materials Today Communications · 2024
S. El Kamli, yassin SELMANI, A. Jabar, L. Bahmad, A. Kassou-Ou-Ali
Read original paper ↗ ·Bridging current and future innovations to unlock the potential of multifunctional materials for sustainable energy applications
Materials Advances · 2025
Aparna Ashok, Jitendra Pal Singh, Anuj Kumar, Neeru Bhagat
Read original paper ↗ ·SynCoTrain: a dual classifier PU-learning framework for synthesizability prediction
Digital Discovery · 2025
Sasan Amariamir, Janine George, Philipp Benner
Read original paper ↗ ·Typical thermoelectric materials: Progress and prospects
Physics Letters A · 2025
Xingzhu Yuan, Yinchang Zhao, Zhenhong Dai
Read original paper ↗ ·A Comprehensive Analysis of CoHfX (X = As, Bi) Half Heusler Alloys: Implications for High-Performance Thermoelectric and Photovoltaic Devices
Journal of Inorganic and Organometallic Polymers and Materials · 2025
Bharti Gurunani, Dinesh C. Gupta
Read original paper ↗ ·TiNiSi-type EuPdBi
Zeitschrift für Kristallographie - New Crystal Structures · 2025
Trinath Mishra, Rainer Pöttgen
Read original paper ↗ ·Many-body ab initio study of quasiparticles, optical excitations, and excitonic properties in Li Zn As and Sc Ag C for photovoltaic applications
Physical Review Applied · 2025
Vinod Kumar Solet, Sudhir K. Pandey
Read original paper ↗ ·Machine learning investigation of chemical disorder effects in 24-valence-electron full-Heusler alloys with single magnetic element
Journal of Magnetism and Magnetic Materials · 2025
Yanqi Guo, Chaokun Guo, Yuanji Xu, Bing Zheng, Xiaodong Ni, Fuyang Tian
Read original paper ↗ ·Exploring Phase Stability and Transport Properties of Emerging Thermoelectric Materials: Machine Learning and Experimental Insights
ACS Applied Energy Materials · 2025
Abhigyan Ojha, Ayush Tiwari, Sai Aditya Tagore Vambaravelli, Kisor Kumar Sahu, Sivaiah Bathula
Read original paper ↗ ·Machine Learning in Flocculant Research and Application: Toward Smart and Sustainable Water Treatment
Separations · 2025
Caichang Ding, Ling Shen, Qiyang Liang, Lixin Li
Read original paper ↗ ·A physics-informed machine learning framework for accelerated discovery of single-phase B2 multi-principal element intermetallics
npj Computational Materials · 2025
Weijiang Zhao, Zhaoqi Chen, Yinghui Shang, Qing Wang, Li Wang, Bin Liu, Yong Liu, Yong Gang Yang
Read original paper ↗ ·Prediction of ABX Compounds (X = As, Sn, Sb, Pb, or Bi) with the MgAgAs Structure Type and Their Crystal Lattice Parameters
Inorganic Materials Applied Research · 2025
N. N. Kiseleva, V. A. Dudarev, A. V. Stolyarenko, Oleg Valentinovich Sen'ko, A. A. Dokukin, Yu. O. Kuznetsova
Read original paper ↗ ·Polymers and the eco-design transformation. A cosmetic perspective
Green Materials · 2025
Gustavo S. Luengo, Hugo Tanner, Jacques L’Haridon, Julien Portal, Fabien Léonforte, Fabien E. I. Deswarte, Sandrine Chodorowski‐Kimmès, Michel Philippe
Read original paper ↗ ·