Papers citing Finding New Perovskite Halides via Machine Learning
Rational Design: A High-Throughput Computational Screening and Experimental Validation Methodology for Lead-Free and Emergent Hybrid Perovskites
ACS Energy Letters · 2017
Sudip Chakraborty, Wei Xie, Nripan Mathews, Matthew Sherburne, Rajeev Ahuja, Mark Asta, Subodh G. Mhaisalkar
Read original paper ↗ ·Extracting knowledge from molecular mechanics simulations of grain boundaries using machine learning
Acta Materialia · 2017
Joshua A. Gomberg, Andrew James Medford, Surya R. Kalidindi
Read original paper ↗ ·Including crystal structure attributes in machine learning models of formation energies via Voronoi tessellations
Physical review. B./Physical review. B · 2017
Logan T. Ward, Ruoqian Liu, Amar Krishna, Vinay I. Hegde, Ankit Agrawal, Alok Choudhary, Chris M. Wolverton
Read original paper ↗ ·Machine Learning and Materials Informatics: Recent Applications and Prospects
arXiv (Cornell University) · 2017
Rampi Ramprasad, Rohit Batra, Ghanshyam Pilania, Arun Mannodi‐Kanakkithodi, Chiho Kim
Read original paper ↗ ·Mining Materials Design Rules from Data: The Example of Polymer Dielectrics
Chemistry of Materials · 2017
Arun Mannodi‐Kanakkithodi, Tran Doan Huan, Rampi Ramprasad
Read original paper ↗ ·Virtual screening of inorganic materials synthesis parameters with deep learning
npj Computational Materials · 2017
Edward Kim, Kejun Huang, Stefanie Jegelka, Elsa Olivetti
Read original paper ↗ ·Machine learning in materials informatics: recent applications and prospects
npj Computational Materials · 2017
Rampi Ramprasad, Rohit Batra, Ghanshyam Pilania, Arun Mannodi‐Kanakkithodi, Chiho Kim
Read original paper ↗ ·Identifying models of dielectric breakdown strength from high-throughput data via genetic programming
Scientific Reports · 2017
Fenglin Yuan, Tim Mueller
Read original paper ↗ ·Machine learning properties of binary wurtzite superlattices
Journal of Materials Science · 2018
Ghanshyam Pilania, Xiang-Yang Liu
Read original paper ↗ ·Electronic structure, magnetic, mechanical and thermo-physical behavior of double perovskite Ba2MgOsO6
The European Physical Journal Plus · 2018
Sajad Ahmad Dar, Vipul Srivastava, Umesh Kumar Sakalle, Vanshree Parey
Read original paper ↗ ·High pressure and high temperature investigation of metallic perovskite SnTaO3
Journal of Molecular Modeling · 2018
Sajad Ahmad Dar, Vipul Srivastava, Umesh Kumar Sakalle
Read original paper ↗ ·The geometric blueprint of perovskites
Proceedings of the National Academy of Sciences · 2018
Marina Rucsandra Filip, Feliciano Giustino
Read original paper ↗ ·Density Functional Theory – Machine Learning Approach to Analyze the Bandgap of Elemental Halide Perovskites and Ruddlesden‐Popper Phases
ChemPhysChem · 2018
Omar Adel Allam, Colin Holmes, Zev Joshua Greenberg, Ki Chul Kim, Seung Soon Jang
Read original paper ↗ ·Toward Eco-friendly and Stable Perovskite Materials for Photovoltaics
Joule · 2018
Ming‐Gang Ju, Min Chen, Yuanyuan Zhou, Jun Dai, Liang Ma, Nitin P. Padture, Xiao Cheng Zeng
Read original paper ↗ ·Predicting the electronic structure, magnetism, and transport properties of new Co-based Heusler alloys
International Journal of Energy Research · 2018
Shakeel Ahmad Khandy, Ishtihadah Islam, Dinesh C. Gupta, A. Laref
Read original paper ↗ ·Hunting for Organic Molecules with Artificial Intelligence: Molecules Optimized for Desired Excitation Energies
ACS Central Science · 2018
Masato Sumita, Xiufeng Yang, Shinsuke Ishihara, Ryo Tamura, Koji Tsuda
Read original paper ↗ ·Halogen in materials design: Chloroammonium lead triiodide perovskite (ClNH3PbI3) a dynamical bandgap semiconductor in 3D for photovoltaics
Journal of Computational Chemistry · 2018
Pradeep R. Varadwaj, Arpita Varadwaj, Helder M. Marques, Koichi Yamashita
Read original paper ↗ ·A combined DFT, DFT + U and mBJ investigation on electronic structure, magnetic, mechanical and thermodynamics of double perovskite Ba2ZnOsO6
Materials Science and Engineering B · 2018
Sajad Ahmad Dar, Vipul Srivastava, Umesh Kumar Sakalle, Vanshree Parey, Gitanjali Pagare
Read original paper ↗ ·Prediction of superconducting transition temperature using a machine-learning method
Materiali in tehnologije · 2018
Yuan-Peng LIU, H. Zhang, Yuge Xu, Shengzhou Li, D. Dai, C. Li, G. Ding, W. Shen, Quan Qian
Read original paper ↗ ·Ab-initio DFT based investigation of double perovskite oxide Ba2CdOsO6 with cubic structure
Computational Condensed Matter · 2018
Sajad Ahmad Dar, Vipul Srivastava, Umesh Kumar Sakalle
Read original paper ↗ ·Rationalizing Perovskite Data for Machine Learning and Materials Design
The Journal of Physical Chemistry Letters · 2018
Qichen Xu, Zhenzhu Li, Miao Liu, Wan‐Jian Yin
Read original paper ↗ ·Machine-learning-accelerated high-throughput materials screening: Discovery of novel quaternary Heusler compounds
Physical Review Materials · 2018
Kyoungdoc Kim, Logan T. Ward, Jiangang He, Amar Krishna, Ankit Agrawal, Chris M. Wolverton
Read original paper ↗ ·Predicting electron-phonon coupling constants of superconducting elements by machine learning
Physica C Superconductivity · 2018
Z. Alizadeh, Mohammad Reza Mohammadizadeh
Read original paper ↗ ·Bismuth halide semiconductors : a combined theoretical and experimental approach for photovoltaics
Venue not supplied by source · 2019
Biplab Ghosh
Read original paper ↗ ·Bulk and surface DFT investigations of inorganic halide perovskites screened using machine learning and materials property databases
Physical Chemistry Chemical Physics · 2019
Deepak Jain, Suryanaman Chaube, Prerna Khullar, Sriram Goverapet Srinivasan, Beena Rai
Read original paper ↗ ·Computational Modeling and the Design of Perovskite Solar Cells
Springer eBooks · 2019
Wan‐Jian Yin, Huijun Gu, Xin-Gao Gong
Read original paper ↗ ·Rationalizing the interphase stability of Li|doped-Li 7 La 3 Zr 2 O 12 via automated reaction screening and machine learning
Journal of Materials Chemistry A · 2019
Bo Liu, Jiong Yang, Hongliang Yang, Caichao Ye, Yuanqing Mao, Jiping Wang, Siqi Shi, Jihui Yang, Wenqing Zhang
Read original paper ↗ ·White light emission in low-dimensional perovskites
Journal of Materials Chemistry C · 2019
Daniele Cortecchia, Jun Li Yin, Annamaria Petrozza, Cesare Soci
Read original paper ↗ ·Thermodynamic Stability Landscape of Halide Double Perovskites via High‐Throughput Computing and Machine Learning
Advanced Functional Materials · 2019
Zhenzhu Li, Qichen Xu, Qingde Sun, Zhufeng Hou, Wan‐Jian Yin
Read original paper ↗ ·New tolerance factor to predict the stability of perovskite oxides and halides
Science Advances · 2019
Christopher J. Bartel, Christopher A. Sutton, Bryan R. Goldsmith, Runhai Ouyang, Charles B. Musgrave, Luca M. Ghiringhelli, Matthias Scheffler
Read original paper ↗ ·From DFT to machine learning: recent approaches to materials science–a review
Journal of Physics Materials · 2019
Gabriel Ravanhani Schleder, A. C. M. Padilha, Carlos Mera Acosta, Marcio Costa, A. Fazzio
Read original paper ↗ ·Machine learning based prediction of metal hydrides for hydrogen storage, part I: Prediction of hydrogen weight percent
International Journal of Hydrogen Energy · 2019
Alireza Rahnama, Guilherme Zepon, S. Sridhar
Read original paper ↗ ·Machine learning based prediction of metal hydrides for hydrogen storage, part II: Prediction of material class
International Journal of Hydrogen Energy · 2019
Alireza Rahnama, Guilherme Zepon, S. Sridhar
Read original paper ↗ ·Data-enabled structure–property mappings for lanthanide-activated inorganic scintillators
Journal of Materials Science · 2019
Ghanshyam Pilania, Xiang-Yang Liu, Zhehui Wang
Read original paper ↗ ·Data mining new energy materials from structure databases
Renewable and Sustainable Energy Reviews · 2019
Lei Zhang, Zhiqiao Chen, Jing Su, Jingfa Li
Read original paper ↗ ·Data analysis of multi-dimensional thermophysical properties of liquid substances based on clustering approach of machine learning
Chemical Physics Letters · 2019
Gota Kikugawa, Yuta Nishimura, Koji Shimoyama, Taku Ohara, Tomonaga Okabe, Fumio S. Ohuchi
Read original paper ↗ ·Materials Design in Digital Era: Challenges and Opportunities
Transactions of the Indian Institute of Metals · 2019
Deepak Jain, Balarama Sridhar Dwadasi, Dharmendr Kumar, Shashank Mishra, Bharath Ravikumar, Rakesh Kumar Gupta, Sriram Goverapet Srinivasan, Vinay Kumar Jain, Mahesh Mynam, Soumyadipta Maiti, Beena Rai
Read original paper ↗ ·KBaTeBiO6: A Lead-Free, Inorganic Double-Perovskite Semiconductor for Photovoltaic Applications
Chemistry of Materials · 2019
Arashdeep Singh Thind, Shalinee Kavadiya, Mojgan Kouhnavard, Robin Wheelus, Sung Beom Cho, Liang-Yi Lin, Clayton Thomas Kacica, Hemant Kumar Mulmudi, Kinga A. Unocic, Albina Y. Borisevich, Ghanshyam Pilania, Pratim Biswas, Rohan Mishra
Read original paper ↗ ·Alternative materials for perovskite solar cells from materials informatics
Physical Review Materials · 2019
Shohei Kanno, Yutaka Imamura, Masahiko Hada
Read original paper ↗ ·Materials science in the artificial intelligence age: high-throughput library generation, machine learning, and a pathway from correlations to the underpinning physics
MRS Communications · 2019
Rama Krishnan Vasudevan, Kamal Kumar Choudhary, Apurva Mehta, Ryan P. Smith, Aaron Gilad Kusne, Francesca Tavazza, Lukáš Vlček, Maxim A Ziatdinov, Sergei V. Kalinin, Jason R. Hattrick-Simpers
Read original paper ↗ ·Learn-and-Match Molecular Cations for Perovskites
The Journal of Physical Chemistry A · 2019
Heesoo Park, Raghvendra Mall, Fahhad H. Alharbi, Stefano Sanvito, Nouar Tabet, Halima Bensmail, Fedwa El‐Mellouhi
Read original paper ↗ ·Prediction of new iodine-containing apatites using machine learning and density functional theory
MRS Communications · 2019
Timothy Q. Hartnett, Mukil V. Ayyasamy, Prasanna V. Balachandran
Read original paper ↗ ·Tin Halide Perovskites: Progress and Challenges
Advanced Energy Materials · 2019
Wenfan Yang, Femi O. Igbari, Yanhui Lou, Zhao‐Kui Wang, Liang‐Sheng Liao
Read original paper ↗ ·Osmium Containing Double Perovskite Ba2XOsO6 (X = Mg, Zn, Cd): Important Candidates for Half-Metallic Ferromagnetic and Spintronic Applications
IntechOpen eBooks · 2019
Sajad Ahmad Dar
Read original paper ↗ ·A Statistical Learning Framework for Accelerated Bandgap Prediction of Inorganic Compounds
Journal of Electronic Materials · 2019
Suryanaman Chaube, Prerna Khullar, Sriram Goverapet Srinivasan, Beena Rai
Read original paper ↗ ·Exploiting Ionic Radii for Rational Design of Halide Perovskites
Chemistry of Materials · 2019
Runhai Ouyang
Read original paper ↗ ·Computational Modeling and the Design of Perovskite Solar Cells
Springer eBooks · 2020
Wan‐Jian Yin, Huijun Gu, Xin-Gao Gong
Read original paper ↗ ·Materials Representations
Synthesis lectures on materials and optics · 2020
Ghanshyam Pilania, Prasanna V. Balachandran, James E. Gubernatis, Turab Lookman
Read original paper ↗ ·Searching for stable perovskite solar cell materials using materials genome techniques and high-throughput calculations
Journal of Materials Chemistry C · 2020
Qingde Sun, Wan‐Jian Yin, Su‐Huai Wei
Read original paper ↗ ·A Critical Review of Machine Learning of Energy Materials
Advanced Energy Materials · 2020
Chi Chen, Yunxing Zuo, Weike Ye, Xiangguo Li, Zhi Deng, Shyue Ping Ong
Read original paper ↗ ·