Papers citing Challenges, Opportunities, and Prospects in Metal Halide Perovskites from Theoretical and Machine Learning Perspectives
Machine Learning Aided Interpretable Approach for Single Nucleotide-Based DNA Sequencing using a Model Nanopore
The Journal of Physical Chemistry Letters · 2022
Milan Kumar Jena, Diptendu Roy, Biswarup Pathak
Read original paper ↗ ·SnO2/BaSnO3 electron transport materials for stable and efficient perovskite solar cells
Applied Surface Science · 2022
Mohammadhosein Kohan, Tahmineh Mahmoudi, Yousheng Wang, Yeon‐Ho Im, Yoon‐Bong Hahn
Read original paper ↗ ·Accelerating explicit solvent models of heterogeneous catalysts with machine learning interatomic potentials
Chemical Science · 2023
Benjamin W. J. Chen, Xinglong Zhang, Jia Zhang
Read original paper ↗ ·Machine learning in energy chemistry: introduction, challenges and perspectives
Energy Advances · 2023
Yuzhi Xu, Jiankai Ge, Cheng‐Wei Ju
Read original paper ↗ ·Machine learning the vibrational free energy of perovskites
Materials Advances · 2023
Krishnaraj Kundavu, Suman Mondal, Amrita Bhattacharya
Read original paper ↗ ·Machine Learning for Perovskite Solar Cells and Component Materials: Key Technologies and Prospects
Advanced Functional Materials · 2023
Yiming Liu, Xinyu Tan, Jie Liang, Hongwei Han, Peng Xiang, Wensheng Yan
Read original paper ↗ ·The challenge of studying perovskite solar cells’ stability with machine learning
Frontiers in Energy Research · 2023
Paolo Graniero, Mark Khenkin, Hans Köbler, Noor Titan Putri Hartono, Rutger Schlatmann, Antonio Abate, Eva Unger, T. Jesper Jacobsson, Carolin Ulbrich
Read original paper ↗ ·A review on computational modeling of instability and degradation issues of halide perovskite photovoltaic materials
Wiley Interdisciplinary Reviews Computational Molecular Science · 2023
Pranjul Bhatt, Ayush Kumar Pandey, Ashutosh Rajput, Kshitij Kumar Sharma, Sk Abdul Moyez, Abhishek Tewari
Read original paper ↗ ·Emerging opportunities for hybrid perovskite solar cells using machine learning
APL Energy · 2023
Abigail R. Hering, Mansha Dubey, Marina S. Leite
Read original paper ↗ ·High-Throughput Screening on Halide Perovskite Derivatives and Rational Design of Cs 3 LuCl 6
ACS Energy Letters · 2023
Hyeon Woo Kim, Joo Hyeong Han, Hyunseok Ko, Tuhin Samanta, Dong Geon Lee, Dong Won Jeon, Woongchan Kim, Yong‐Chae Chung, Won Bin Im, Sung Beom Cho
Read original paper ↗ ·Machine‐Learning Accelerating the Development of Perovskite Photovoltaics
Solar RRL · 2023
Tiantian Liu, Sen Wang, Yinguang Shi, Lei Wu, Ruiyu Zhu, Yong Wang, Jun Zhou, Wallace C. H. Choy
Read original paper ↗ ·Rotor lattice model of ferroelectric large polarons
Physical Review Research · 2023
Georgios M. Koutentakis, Areg Ghazaryan, Mikhail Lemeshko
Read original paper ↗ ·Single‐Atom Heterogeneous Catalysts: Human‐ and AI‐Driven Platform for Augmented Designs, Analytics and Reality‐Enabled Manufacturing
Angewandte Chemie International Edition · 2023
Lei Cheng, Yawen Tang, Kostya Ostrikov, Quanjun Xiang
Read original paper ↗ ·Single‐Atom Heterogeneous Catalysts: Human‐ and AI‐Driven Platform for Augmented Designs, Analytics and Reality‐Enabled Manufacturing
Angewandte Chemie · 2023
Lei Cheng, Yawen Tang, Kostya Ostrikov, Quanjun Xiang
Read original paper ↗ ·Methylammonium-free wide-bandgap metal halide perovskites for tandem photovoltaics
Nature Reviews Materials · 2023
Alexandra J. Ramadan, Robert D. J. Oliver, Michael B. Johnston, Henry James Snaith
Read original paper ↗ ·Benchmark thermodynamic analysis of methylammonium lead iodide decomposition from first principles
Journal of Physics Energy · 2023
Douglas Heine, Hui-Chia Yu, Volker Blüm
Read original paper ↗ ·A Fast Forward Prediction Framework for Energy Materials Design Based on Machine Learning Methods
Energy Material Advances · 2024
Xinhua Liu, Kaiyi Yang, Lisheng Zhang, Wentao Wang, Sida Zhou, Billy Wu, Mengyu Xiong, Shichun Yang, Rui Qin Tan
Read original paper ↗ ·Active sparse Bayesian committee machine potential for isothermal–isobaric molecular dynamics simulations
Physical Chemistry Chemical Physics · 2024
Soohaeng Yoo Willow, Dong Geon Kim, R. Sundheep, Amir Hajibabaei, Kwang S. Kim, Chang Woo Myung
Read original paper ↗ ·Screening of novel halide perovskites for photocatalytic water splitting using multi-fidelity machine learning
Physical Chemistry Chemical Physics · 2024
Maitreyo Biswas, Rushik Desai, Arun Mannodi‐Kanakkithodi
Read original paper ↗ ·Perovskite Multiple Quantum Well Superlattices: Potentials and Challenges
ACS Energy Letters · 2024
Luke R. W. White, Felix Utama Kosasih, Matthew Sherburne, Nripan Mathews, Subodh G. Mhaisalkar, Annalisa Bruno
Read original paper ↗ ·Perspectives on Development of Optoelectronic Materials in Artificial Intelligence Age
Chemistry - An Asian Journal · 2024
Ting Yuan, Xianzhi Song, Yuxin Shi, Shuyan Wei, Yuyi Han, Linjuan Yang, Yang Zhang, Xiaohong Li, Yunchao Li, Lin Shen, Louzhen Fan
Read original paper ↗ ·Progress in Single/Multi Atoms and 2D‐Nanomaterials for Electro/Photocatalytic Nitrogen Reduction: Experimental, Computational and Machine Leaning Developments
Advanced Energy Materials · 2024
Aditya Narayan Singh, Rohit Anand, Mohammad Zafari, Miran Ha, Kwang S. Kim
Read original paper ↗ ·Research progress of metal halide perovskites in the preparation of nanosemiconductor lasers
Journal of Materials Science · 2024
Ke Xu, Honghao Qian
Read original paper ↗ ·An overview about neural networks potentials in molecular dynamics simulation
International Journal of Quantum Chemistry · 2024
Raidel Martin‐Barrios, Edisel Navas Conyedo, Xuyi Zhang, Yunwei Chen, Jorge Gulı́n González
Read original paper ↗ ·Data-driven optimization and machine learning analysis of compatible molecules for halide perovskite material
npj Computational Materials · 2024
Shaojun Wang, Yiru Huang, Wenguang Hu, Lei Zhang
Read original paper ↗ ·Unprecedented Richness of Temperature‐ and Pressure‐Induced Polymorphism in 1D Lead Iodide Perovskite
Small · 2024
Marcin Saski, Szymon Sobczak, Paulina Ratajczyk, Michał Terlecki, Wojciech Marynowski, Aleksandra Borkenhagen, Iwona Justyniak, Andrzej Katrusiak, Janusz Lewiński
Read original paper ↗ ·Adapting Explainable Machine Learning to Study Mechanical Properties of 2D Hybrid Halide Perovskites
Advanced Functional Materials · 2024
Yuxuan Yao, Dan Han, Kieran B. Spooner, Xiaoyu Jia, H. Ebert, David O. Scanlon, Harald Oberhofer
Read original paper ↗ ·Interpretable Machine Learning for Investigating the Molecular Mechanisms Governing the Transparency of Colorless Transparent Polyimide for OLED Cover Windows
Advanced Functional Materials · 2024
Songyang Zhang, Xiaojie He, Peng Xiao, Xuejian Xia, Feng Zheng, Shuangfei Xiang, Qinghua Lu
Read original paper ↗ ·Comprehensive review of advances in machine-learning-driven optimization and characterization of perovskite materials for photovoltaic devices
Journal of Energy Chemistry · 2024
Bonghyun Jo, Wenning Chen, Hyun Suk Jung
Read original paper ↗ ·Sparse Gaussian process based machine learning first principles potentials for materials simulations: Application to batteries, solar cells, catalysts, and macromolecular systems
Chemical Physics Reviews · 2024
Soohaeng Yoo Willow, Amir Hajibabaei, Miran Ha, David ChangMo Yang, Chang Woo Myung, Seung Kyu Min, Geunsik Lee, Kwang S. Kim
Read original paper ↗ ·Machine learning-assisted design of high-performance perovskite photodetectors: a review
Advanced Composites and Hybrid Materials · 2024
Xiaohui Fiona Li, Yongxiang Mai, Chunfeng Lan, Fu Yang, Putao Zhang, Shengjun Li
Read original paper ↗ ·Deep learning for augmented process monitoring of scalable perovskite thin-film fabrication
Energy & Environmental Science · 2025
Felix Laufer, Markus Götz, Ulrich W. Paetzold
Read original paper ↗ ·Machine learning for predicting and improving perovskite properties
Semiconductors and semimetals · 2025
Xuesi Liu, Hualin Zhan
Read original paper ↗ ·State of the Art and Prospects for Lead-Free Halide Perovskites in Photocatalytic CO2 Reduction
Comprehensive series in photochemistry and photobiology/Comprehensive series in photochemical & photobiological sciences · 2025
Chunhua Wang, Zhirun Xie, Ning Han, Yang Ding, Bao‐Lian Su, Yun Hau Ng
Read original paper ↗ ·Machine Learning Nonadiabatic Dynamics: Eliminating Phase Freedom of Nonadiabatic Couplings with the State-Interaction State-Averaged Spin-Restricted Ensemble-Referenced Kohn–Sham Approach
Journal of Chemical Theory and Computation · 2025
Sung Wook Moon, Soohaeng Yoo Willow, Tae Park, Seung Kyu Min, Chang Woo Myung
Read original paper ↗ ·A sparse Bayesian Committee Machine potential for oxygen-containing organic compounds
Chemical Physics Reviews · 2025
Soohaeng Yoo Willow, Seungwon Kim, David ChangMo Yang, Miran Ha, Amir Hajibabaei, Jung Woon Yang, Kwang S. Kim, Chang Woo Myung
Read original paper ↗ ·Unlocking a self-driving research workflow for perovskite photovoltaics
Matter · 2025
Lifang Xie, Yalan Zhang, Noah Peterkes, Xiao‐Fen Li, Yike Guo, Yuanyuan Zhou
Read original paper ↗ ·Dual DRT-based deconvolution of electrochemical signatures in perovskite solar cells
Journal of Energy Chemistry · 2025
Raj Dashrath Patel, Kirankumar J. Chaudhary, Darshan Purohit, Daniel Prochowicz, Seçkin Akın, Abul Kalam, Sakshum Khanna, Siddhi Vinayak Pandey, Pankaj Yadav
Read original paper ↗ ·Phase Stability and Transformations in Lead Mixed Halide Perovskites from Machine Learning Force Fields
Chemistry of Materials · 2025
Xia Liang, Johan Klarbring, Aron Walsh
Read original paper ↗ ·Review: machine learning-driven design and discovery of halide perovskite materials
Journal of Materials Science · 2025
Nazir Mustapha, Mokhtar Hjiri
Read original paper ↗ ·Machine Learning for Accelerating Energy Materials Discovery: Bridging Quantum Accuracy with Computational Efficiency
Advanced Energy Materials · 2025
Kwang S. Kim
Read original paper ↗ ·Accelerating Materials Discovery Through Sparse Gaussian Process Machine Learning Potentials
Accounts of Chemical Research · 2025
Miran Ha, Saeed Pourasad, Chang Woo Myung, Kwang S. Kim
Read original paper ↗ ·Eu 3+ -induced passivation and charge-transport modulation in Cs 2 FeCl 5 ·H 2 O single crystals and evaporated thin films for photodetectors
Physical Chemistry Chemical Physics · 2026
Chen Wang, Yu Li, Huimeng Shen, Jiayi Ren, Qi Sun, Hui Yan, Xinpei Li, Huawei Zhou, Xianxi Zhang, Federico Rosei, Jun Zhang
Read original paper ↗ ·Machine learning force fields for inorganic crystalline materials: principles, advances, and emerging applications
Physical Chemistry Chemical Physics · 2026
Jing Yi, Yuxin Zhan, Yuanmao Hu, Shuai Zhao, Hui Li
Read original paper ↗ ·Perovskite solar cells towards industrialization: overcoming challenges with data-driven strategies
Nanoscale · 2026
Qi Pan, Qixuan Zhong, Jiang Pu, G. Yu, Jinxing Chen, Muhan Cao, Bo Feng
Read original paper ↗ ·Defect-Immune Perovskite Photovoltaics via Molecular Vise Engineering: A Pathway to Scalable, Encapsulation-Free Production under Mild Conditions
ACS Applied Materials & Interfaces · 2026
Wenhua Qu, Libo Li, Xiangrui Deng, Shubo Fan, Hang Yang, Suo Li
Read original paper ↗ ·Organic–Inorganic Metal Halide Perovskites: Toward Stability, Chirality, and AI-Guided Discovery
ACS Central Science · 2026
Jiaonan Sun, Yiying Wu
Read original paper ↗ ·Extracting Knowledge of 2D‐Hybrid Halide Perovskite Materials: A Data Mining Approach
ChemistryOpen · 2026
Guadalupe Castro, Miriam Pescador‐Rojas, Joel Ireta
Read original paper ↗ ·Origin of suppressed ferroelectricity in κ-Ga2O3: interplay between polarization and lattice domain walls
npj Computational Materials · 2026
Yonghao Zhu, Wen-Hao Liu, Run Long, Lin‐Wang Wang, Jun‐Wei Luo, Zhi Wang
Read original paper ↗ ·Machine Learning Potentials for Inorganic and Hybrid Lead Halide Perovskites: From Phase Stability to Defects and Interfaces
ACS Applied Materials & Interfaces · 2026
Tieyuan Bian, Wenjia Zhu, Qiong Lei, Jun Yin
Read original paper ↗ ·