Papers citing Machine learning–assisted molecular design and efficiency prediction for high-performance organic photovoltaic materials
CNN model optimization and intelligent balance model for material demand forecast
International Journal of Systems Assurance Engineering and Management · 2021
Zheng Sophia Tang, Yuemeng Ge
Read original paper ↗ ·Noble-Metal-Free Multicomponent Nanointegration for Sustainable Energy Conversion
Chemical Reviews · 2021
Haijiao Lu, Julie Tournet, Kamran Dastafkan, Yun Liu, Yun Hau Ng, Siva Krishna Karuturi, Chuan Zhao, Zongyou Yin
Read original paper ↗ ·Machine Learning Force Fields: Recent Advances and Remaining Challenges
The Journal of Physical Chemistry Letters · 2021
Igor Poltavsky, Alexandre Tkatchenko
Read original paper ↗ ·Machine Learning Guided Design of Single–Phase Hybrid Lead Halide White Phosphors
Advanced Science · 2021
Hailong Yuan, Luyuan Qi, Michaël Paris, Fei Chen, Qiang Shen, E. Faulques, Florian Massuyeau, Romain Gautier
Read original paper ↗ ·Hydrogen Evolution Prediction for Alternating Conjugated Copolymers Enabled by Machine Learning with Multidimension Fragmentation Descriptors
ACS Applied Materials & Interfaces · 2021
Yuzhi Xu, Cheng‐Wei Ju, Bo Li, Qiu-Shi Ma, Zhenyu Chen, Lianjie Zhang, Junwu Chen
Read original paper ↗ ·Machine-Learning-Enabled Tricks of the Trade for Rapid Host Material Discovery in Li–S Battery
ACS Applied Materials & Interfaces · 2021
Haikuo Zhang, Zhilong Wang, Junfei Cai, Sicheng Wu, Jinjin Li
Read original paper ↗ ·Predicting Power Conversion Efficiency of Organic Photovoltaics: Models and Data Analysis
ACS Omega · 2021
Andreas Eibeck, Daniel Nurkowski, Angiras Menon, Jiaru Bai, Jinkui Wu, Li Zhou, Sebastian Mosbach, Jethro Akroyd, Markus Kraft
Read original paper ↗ ·Artificial Intelligence Designer for Highly-Efficient Organic Photovoltaic Materials
The Journal of Physical Chemistry Letters · 2021
Wenbo Sun, Yujie Zheng, Qi Zhang, Ke Yang, Haiyan Chen, Yongjoon Cho, Jiehao Fu, Omololu Odunmbaku, Akeel Abbas Shah, Zeyun Xiao, Shirong Lu, Shanshan Chen, Meng Li, Bo Qin, Changduk Yang, Thomas Frauenheim, Kuan Sun
Read original paper ↗ ·Applied Machine Learning for Developing Next‐Generation Functional Materials
Advanced Functional Materials · 2021
Filip Dinic, Kamalpreet Singh, Tony Dong, Milad Rezazadeh, Zhibo Wang, Ali Khosrozadeh, Tiange Yuan, Oleksandr Voznyy
Read original paper ↗ ·Machine learning and microstructure design of polymer nanocomposites for energy storage application
High Voltage · 2021
Yu Feng, Wenxin Tang, Yue Zhang, Tiandong Zhang, Yanan Shang, Qingguo Chi, Qingguo Chen, Qingquan Lei
Read original paper ↗ ·Prediction of non-radiative voltage losses in organic solar cells using machine learning
Solar Energy · 2021
Prateek Malhotra, Subhayan Biswas, Fang‐Chung Chen, Ganesh Datt Sharma
Read original paper ↗ ·Advanced machine learning decision policies for diameter control of carbon nanotubes
npj Computational Materials · 2021
Rahul S. Rao, Jennifer Carpena‐Núñez, Pavel N. Nikolaev, Michael A. Susner, Kristofer G. Reyes, Benji Maruyama
Read original paper ↗ ·Scalable estimator of the diversity for de novo molecular generation resulting in a more robust QM dataset (OD9) and a more efficient molecular optimization
Journal of Cheminformatics · 2021
Jules Leguy, Marta Glavatskikh, Thomas Cauchy, Benoit Da Mota
Read original paper ↗ ·Machine Learning Driven Synthesis of Few-Layered WTe2 with Geometrical Control
Journal of the American Chemical Society · 2021
Manzhang Xu, Bijun Tang, Yuhao Lu, Chao Fu Zhu, Qianbo Lu, Chao Fu Zhu, Lu Zheng, Jingyu Zhang, Nannan Han, Weidong Fang, Yuxi Guo, Jun Di, Pin Song, Yongmin He, Lixing Kang, Zhiyong Zhang, Wu Yun Zhao, Cuntai Guan, Xuewen Wang, Zheng Liu
Read original paper ↗ ·The role of machine learning to boost the bioenergy and biofuels conversion
Bioresource Technology · 2021
Zheng‐Xin Wang, Xinggan Peng, Ao Xia, Akeel Abbas Shah, Yun Yan Huang, Xianqing Zhu, Xun Zhu, Qiang Liao
Read original paper ↗ ·Material Evolution with Nanotechnology, Nanoarchitectonics, and Materials Informatics: What will be the Next Paradigm Shift in Nanoporous Materials?
Advanced Materials · 2021
Watcharop Chaikittisilp, Yusuke Yamauchi, Katsuhiko Ariga
Read original paper ↗ ·Machine Learning-Assisted Development of Sensitive Electrode Materials for Mixed Potential-Type NO2Gas Sensors
ACS Applied Materials & Interfaces · 2021
Bin Wang, Weijia Li, Qi Lu, Yueying Zhang, Hao Yu, Lingchu Huang, Tong Wang, Xishuang Liang, Fengmin Liu, Fangmeng Liu, Peng Sun, Geyu Lu
Read original paper ↗ ·Novel Materials for Urban Farming
Advanced Materials · 2021
Lifei Xi, Mengyuan Zhang, L. Zhang, Tedrick Thomas Salim Lew, Yeng Ming Lam
Read original paper ↗ ·Role of artificial intelligence in chemistry
Materials Today Proceedings · 2021
Neeru Choudhary, Ruchi Bharti, Renu Sharma
Read original paper ↗ ·Organic Photovoltaic Efficiency Predictor: Data-Driven Predictions of Power Conversion Efficiencies of Non-Fullerene Acceptor Organic Solar Cells
Venue not supplied by source · 2021
Brianna L. Greenstein, Geoffrey Hutchison
Read original paper ↗ ·XGBoost‐based intelligence yield prediction and reaction factors analysis of amination reaction
Journal of Computational Chemistry · 2021
Jing Dong, Lichao Peng, Xiaohui Yang, Zelin Zhang, Puyu Zhang
Read original paper ↗ ·Molecular-fingerprint machine-learning-assisted design and prediction for high-performance MOFs for capture of NMHCs from air
Advanced Powder Materials · 2021
Xueying Yuan, Lifeng Li, Zenan Shi, Hong Liang, Shuhua Li, Zhiwei Qiao
Read original paper ↗ ·Machine Learning-Assisted Development of Organic Solar Cell Materials: Issues, Analyses, and Outlooks
The Journal of Physical Chemistry Letters · 2021
Yuta Miyake, Akinori Saeki
Read original paper ↗ ·Discovery of Innovative Polymers for Next-Generation Gas-Separation Membranes using Interpretable Machine Learning
Research Square · 2021
Jason Yang, Lei Tao, Jinlong He, Jeffrey R. McCutcheon, Ying Li
Read original paper ↗ ·Optimizing molecules using efficient queries from property evaluations
Nature Machine Intelligence · 2021
Samuel C. Hoffman, Vijil Chenthamarakshan, Kahini Wadhawan, Pin‐Yu Chen, Payel Das
Read original paper ↗ ·Beyond structural insight: a deep neural network for the prediction of Pt L 2/3 -edge X-ray absorption spectra
Physical Chemistry Chemical Physics · 2022
Luke Watson, Conor D. Rankine, Thomas J. Penfold
Read original paper ↗ ·Computational Workflow for Accelerated Molecular Design Using Quantum Chemical Simulations and Deep Learning Models
Communications in computer and information science · 2022
Andrew E. Blanchard, Pei Zhang, Debsindhu Bhowmik, Kshitij Mehta, John P. Gounley, Samuel Temple Reeve, Stephan Irle, Massimiliano Lupo Pasini
Read original paper ↗ ·Impact of substituents on the performance of small-molecule semiconductors in organic photovoltaic devices via regulating morphology
Journal of Materials Chemistry C · 2022
Mitsuharu Suzuki, Kanta Suzuki, Taehyun Won, Hiroko Yamada
Read original paper ↗ ·Machine learning and molecular dynamics simulation-assisted evolutionary design and discovery pipeline to screen efficient small molecule acceptors for PTB7-Th-based organic solar cells with over 15% efficiency
Journal of Materials Chemistry A · 2022
Asif Mahmood, Ahmad Irfan, Jin‐Liang Wang
Read original paper ↗ ·Machine Learning Strategies for the Structure-Property Relationship of Copolymers
iScience · 2022
Lei Tao, JOHN J. BYRNES, Vikas Varshney, Ying Li
Read original paper ↗ ·Machine-learning-assisted prediction of long-term performance degradation on solid oxide fuel cell cathodes induced by chromium poisoning
Journal of Materials Chemistry A · 2022
Kaichuang Yang, Jiapeng Liu, Yuhao Wang, Xiangcheng Shi, Jingle Wang, Qiyang Lu, Francesco Ciucci, Zhibin Yang
Read original paper ↗ ·Open-Circuit Voltage Loss and Dielectric Constants as New Descriptors in Machine Learning Study on Organic Photovoltaics
International Journal of Quantum Chemistry · 2022
Bing Kuan Yang, Cai‐Rong Zhang, Yu Wang, Miao Zhao, Hai‐Yuan Yu, Zi‐Jiang Liu, Xiao‐Meng Liu, Yuhong Chen, Youzhi Wu, Hongshan Chen
Read original paper ↗ ·Opportunities and challenges for machine learning to select combination of donor and acceptor materials for efficient organic solar cells
Journal of Materials Chemistry C · 2022
Prateek Malhotra, Kanupriya Khandelwal, Subhayan Biswas, Fang‐Chung Chen, Ganesh Datt Sharma
Read original paper ↗ ·Prediction without Transferability: Domain Shift in Cross-Material AI Inference
Journal of Computational and Data-Driven Materials Engineering · 2022
Maria Gonzalez, Javier Ruiz, Lucia Torres
Read original paper ↗ ·Progress, challenges and perspectives of computational studies on glassy superionic conductors for solid-state batteries
Journal of Materials Chemistry A · 2022
Zhenming Xu, Yongyao Xia
Read original paper ↗ ·Recent progress in the data-driven discovery of novel photovoltaic materials
Journal of Materials Informatics · 2022
Lu Tian, Minjie Li, Wencong Lu, Tong‐Yi Zhang
Read original paper ↗ ·Understanding the charge dynamics in organic light-emitting diodes using convolutional neural network
Materials Horizons · 2022
Jae‐Min Kim, Junseop Lim, Jun Yeob Lee
Read original paper ↗ ·High‐Efficiency Non‐Fullerene Acceptors Developed by Machine Learning and Quantum Chemistry
Advanced Science · 2022
Qi Zhang, Yujie Zheng, Wenbo Sun, Zeping Ou, Omololu Odunmbaku, Meng Li, Shanshan Chen, Yongli Zhou, Jing Li, Bo Qin, Kuan Sun
Read original paper ↗ ·Review on Y6-Based Semiconductor Materials and Their Future Development via Machine Learning
Crystals · 2022
Sijing Zhong, Boon Kar Yap, Zhiming Zhong, Lei Ying
Read original paper ↗ ·Volatile Solid Additive‐Assisted Sequential Deposition Enables 18.42% Efficiency in Organic Solar Cells
Advanced Science · 2022
Jianqiang Qin, Qianguang Yang, Jiyeon Oh, Shanshan Chen, George Omololu Odunmbaku, Nabonswendé Aïda Nadège Ouedraogo, Changduk Yang, Kuan Sun, Shirong Lu
Read original paper ↗ ·Review—Conjugated Polymer Photovoltaic Materials: Performance and Applications of Organic Semiconductors in Photovoltaics
ECS Journal of Solid State Science and Technology · 2022
Varun Gopalakrishnan, Dhakshain Balaji Venkatesh, Milind Shrinivas Dangate
Read original paper ↗ ·Photoelectrochemical Properties, Machine Learning, and Symbolic Regression for Molecularly Engineered Halide Perovskite Materials in Water
ACS Applied Materials & Interfaces · 2022
Zhengwei Pan, Yinguo Zhou, Lei Zhang
Read original paper ↗ ·Global instability index as a crystallographic stability descriptor of halide and chalcogenide perovskites
Journal of Energy Chemistry · 2022
Weiqiang Feng, Ruoting Zhao, Xiaoyu Wang, Bangyu Xing, Yilin Zhang, Xin Hai He, Lijun Zhang
Read original paper ↗ ·Interpretable machine learning for developing high-performance organic solar cells
Materials Today Energy · 2022
Elyas Abbasi Jannat Abadi, Harikrishna Sahu, Seyed Morteza Javadpour, Masoud Goharimanesh
Read original paper ↗ ·Deep Transfer Learning: A Fast and Accurate Tool to Predict the Energy Levels of Donor Molecules for Organic Photovoltaics
Advanced Theory and Simulations · 2022
Gareth John Moore, Olivier Bardagot, Natalie Banerji
Read original paper ↗ ·How Machine Learning Predicts and Explains the Performance of Perovskite Solar Cells
Solar RRL · 2022
Yiming Liu, Wensheng Yan, Shichuang Han, Heng Zhu, Yiteng Tu, Li Guan, Xinyu Tan
Read original paper ↗ ·A review on theoretical models for lithium–sulfur battery cathodes
InfoMat · 2022
Shuai Feng, Zhongheng Fu, Xiang Chen, Qiang Zhang
Read original paper ↗ ·Design for a Sustainability Approach to Organic Solar Cell Design: the Use of Machine Learning to Quantify the Trade-off between Performance, Stability, and Environmental Impact
The Journal of Physical Chemistry C · 2022
Tudur Wyn David, Jeff Kettle
Read original paper ↗ ·Current Trends in Fluid Research in the Era of Artificial Intelligence: A Review
Fluids · 2022
Filippos D. Sofos, Christos Stavrogiannis, Kalliopi K. Exarchou-Kouveli, Daniel Akabua, George Charilas, Theodoros E. Karakasidis
Read original paper ↗ ·Performance Prediction and Experimental Optimization Assisted by Machine Learning for Organic Photovoltaics
Advanced Intelligent Systems · 2022
Zhi‐Wen Zhao, Yun Geng, Alessandro Troisi, Haibo Ma
Read original paper ↗ ·