Papers citing Designing and understanding light-harvesting devices with machine learning
Computation sparks chemical discovery
Nature Communications · 2020
Read original paper ↗ ·A Regional Frequency Analysis of Tide Gauges to Assess Pacific Coast Flood Risk
Frontiers in Marine Science · 2020
William Sweet, Ayesha S. Genz, Jayantha T. B. Obeysekera, John J. Marra
Read original paper ↗ ·Role of Napping for Learning Across the Lifespan
Current Sleep Medicine Reports · 2020
Bethany J. Jones, Rebecca M. C. Spencer
Read original paper ↗ ·Machine Learning for Electronically Excited States of Molecules
Chemical Reviews · 2020
Julia Westermayr, Philipp Marquetand
Read original paper ↗ ·Extreme sea level variability dominates coastal flood risk changes at decadal time scales
Environmental Research Letters · 2020
Md Mamunur Rashid, Thomas Wahl, Don P. Chambers
Read original paper ↗ ·Activation for Newly Learned Words in Left Medial-Temporal Lobe During Toddlers’ Sleep is Associated with Word Learning
SSRN Electronic Journal · 2021
Elliott Gray Johnson, Lindsey N. Mooney, Christine Wu Nordahl, Simona Ghetti
Read original paper ↗ ·Beyond generative models: superfast traversal, optimization, novelty, exploration and discovery (STONED) algorithm for molecules using SELFIES
Chemical Science · 2021
AkshatKumar Nigam, Robert Pollice, Mario Krenn, Gabe Gomes, Alán Aspuru‐Guzik
Read original paper ↗ ·Machine learning dielectric screening for the simulation of excited state properties of molecules and materials
Chemical Science · 2021
Sijia S. Dong, Marco Govoni, Giulia Galli
Read original paper ↗ ·Efficient enumeration of bosonic configurations with applications to the calculation of non-radiative rates
The Journal of Chemical Physics · 2021
Robert A. Shaw, Anjay Manian, Igor Lyskov, Salvy P. Russo
Read original paper ↗ ·Experiment‐Oriented Machine Learning of Polymer:Non‐Fullerene Organic Solar Cells
Advanced Functional Materials · 2021
Kakaraparthi Kranthiraja, Akinori Saeki
Read original paper ↗ ·Sleep and human cognitive development
Sleep Medicine Reviews · 2021
Gina Mason, Sanna Lokhandwala, Tracy Riggins, Rebecca M. C. Spencer
Read original paper ↗ ·Unsupervised Learning Methods for Molecular Simulation Data
Chemical Reviews · 2021
Aldo Glielmo, Brooke E. Husic, Alex C. Rodriguez, Cecilia Clementi, Frank Noé, Alessandro Laio
Read original paper ↗ ·Using molecular dynamics simulations to prioritize and understand AI-generated cell penetrating peptides
Scientific Reports · 2021
Duy Phuoc Tran, Seiichi Tada, Akiko Yumoto, Akio Kitao, Yoshihiro Ito, Takanori Uzawa, Koji Tsuda
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.
Research Square · 2021
Jules Leguy, Marta Glavatskikh, Thomas Cauchy, Benoit Da Mota
Read original paper ↗ ·Multi‐Fidelity High‐Throughput Optimization of Electrical Conductivity in P3HT‐CNT Composites
Advanced Functional Materials · 2021
Daniil Bash, Yongqiang Cai, Vijila Chellappan, Swee Liang Wong, Yang Xu, Pawan Kumar, Jin Da Tan, Anas Abutaha, Jayce Jian Wei Cheng, Yee‐Fun Lim, Siyu Isaac Parker Tian, Zekun Ren, Flore Mekki‐Berrada, Wai Kuan Wong, Jiaxun Xie, Jatin Kumar, Saif A. Khan, Qianxiao Li, Tonio Buonassisi, Kedar Hippalgaonkar
Read original paper ↗ ·Development of the N400 for Word Learning in the First 2 Years of Life: A Systematic Review
Frontiers in Psychology · 2021
Caroline Junge, Marlijne Boumeester, Debra L. Mills, Mariella Paul, Samuel H. Cosper
Read original paper ↗ ·Structural Analysis of Nanoscale Network Materials Using Graph Theory
ACS Nano · 2021
Drew A. Vecchio, Samuel H. Mahler, Mark D. Hammig, Nicholas A. Kotov
Read original paper ↗ ·Machine Learning Predictions of Drug Release from Polymeric Long Acting Injectables
ChemRxiv · 2021
Pauric Bannigan, Florian Häse, Matteo Aldeghi, Zeqing Bao, Alán Aspuru‐Guzik, Christine J. Allen
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 ↗ ·Nap timing makes a difference: Sleeping sooner rather than later after learning improves infants’ locomotor problem solving
Infant Behavior and Development · 2021
Aaron DeMasi, Melissa N. Horger, Angelina M. Allia, Anat Scher, Sarah E. Berger
Read original paper ↗ ·Picroscope: low-cost system for simultaneous longitudinal biological imaging
Communications Biology · 2021
Victoria T. Ly, Pierre V. Baudin, Pattawong Pansodtee, Erik A. Jung, Kateryna Voitiuk, Yohei Rosen, Helen Rankin Willsey, Gary L. Mantalas, Spencer T. Seiler, John A. Selberg, Sergio P. Cordero, Jayden M. Ross, Marco Rolandi, Alex A. Pollen, Tomasz Jan Nowakowski, David H. Haussler, Mohammed A. Mostajo-Radji, Sofie R. Salama, Mircea Teodorescu
Read original paper ↗ ·Application of computational approach in plastic pyrolysis kinetic modelling: a review
Reaction Kinetics Mechanisms and Catalysis · 2021
Sabino Armenise, Syie Luing Wong, J. M. Ramírez-Velásquez, Franck Launay, Daniel Wuebben, Bemgba Bevan Nyakuma, Joaquín Rams, Marta Muñoz
Read original paper ↗ ·Charge Transfer Landscape Manifesting Structure-Rate Relationship in the Condensed Phase via Machine Learning
Venue not supplied by source · 2021
Dominikus Brian, Xiang Sun
Read original paper ↗ ·Concordance between subjective and objective measures of infant sleep varies by age and maternal mood: Implications for studies of sleep and cognitive development
Infant Behavior and Development · 2021
Louisa K. Gossé, Frank Wiesemann, Clare E. Elwell, Emily J. H. Jones
Read original paper ↗ ·Charge-Transfer Landscape Manifesting the Structure–Rate Relationship in the Condensed Phase Via Machine Learning
The Journal of Physical Chemistry B · 2021
Dominikus Brian, Xiang Sun
Read original paper ↗ ·Heuristic and Meta Dendral Systems: A Review
International Arab Conference on Information Technology (ACIT) · 2021
Ghaliya Muslem ALFarsi, Ragad Moufaq Tawafak, Sohail Iqbal Malik, Abir AlSideiri, Roy Mathew
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 ↗ ·Data-driven modeling of S0 → S1 excitation energy in the BODIPY chemical space: High-throughput computation, quantum machine learning, and inverse design.
PubMed · 2021
Amit Kr. Gupta, Sabyasachi Chakraborty, Debashree Ghosh, Raghunathan Ramakrishnan
Read original paper ↗ ·High-throughput oxygen chemical potential engineering of perovskite oxides for chemical looping applications
Energy & Environmental Science · 2022
Xijun Wang, Yunfei Gao, Emily Krzystowczyk, Sherafghan Iftikhar, Jian Dou, Runxia Cai, Haiying Wang, Chongyan Ruan, Sheng Ye, Fanxing Li
Read original paper ↗ ·Identifying structure–absorption relationships and predicting absorption strength of non-fullerene acceptors for organic photovoltaics
Energy & Environmental Science · 2022
Jun Yan, Xabier Rodríguez‐Martínez, Drew Pearce, Hana Douglas, Danai Bili, Mohammed Azzouzi, Flurin D. Eisner, Alise Virbule, Elham Rezasoltani, Valentina Belova, Bernhard Dörling, Sheridan Few, Anna A. Szumska, Xueyan Hou, Guichuan Zhang, Hin‐Lap Yip, Mariano Campoy‐Quiles, Jenny Nelson
Read original paper ↗ ·Dimensional heterojunction design: The rising star of 2D bismuth-based nanostructured photocatalysts for solar-to-chemical conversion
Nano Research · 2022
Joel Jie Foo, Sue‐Faye Ng, Wee‐Jun Ong
Read original paper ↗ ·The atomistic modeling of light-harvesting complexes from the physical models to the computational protocol
The Journal of Chemical Physics · 2022
Edoardo Cignoni, Vladislav Sláma, Lorenzo Cupellini, Benedetta Mennucci
Read original paper ↗ ·Accelerating the discovery of high-performance donor/acceptor pairs in photovoltaic materials via machine learning and density functional theory
Materials & Design · 2022
Xiujuan Liu, Yueyue Shao, Tian Lu, Dongping Chang, Minjie Li, Wencong Lu
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 ↗ ·Predicting the future of excitation energy transfer in light-harvesting complex with artificial intelligence-based quantum dynamics
Nature Communications · 2022
Arif Ullah, Pavlo O. Dral
Read original paper ↗ ·Computational evolution of high-performing unfused non-fullerene acceptors for organic solar cells
The Journal of Chemical Physics · 2022
Brianna L. Greenstein, Danielle C. Hiener, Geoffrey Hutchison
Read original paper ↗ ·Organic Photovoltaic Efficiency Predictor: Data-Driven Models for Non-Fullerene Acceptor Organic Solar Cells
The Journal of Physical Chemistry Letters · 2022
Brianna L. Greenstein, Geoffrey Hutchison
Read original paper ↗ ·Evaluation guidelines for machine learning tools in the chemical sciences
Nature Reviews Chemistry · 2022
Andreas Bender, Nadine Schneider, Marwin Segler, W. Patrick Walters, Ola Engkvist, Tiago Rodrigues
Read original paper ↗ ·Predicting Materials Parameters in Colloidal Quantum Dot Photovoltaic Devices Using Machine Learning Models Trained On Experimental Data
Conference record of the IEEE Photovoltaic Specialists Conference · 2022
Hoon Jeong Lee, Ariana B. Höfelmann, Yida Lin, Susanna M. Thon
Read original paper ↗ ·2D conjugated polymers: exploiting topological properties for the rational design of metal-free photocatalysts
Trends in Chemistry · 2022
Yu Jing, Xinyue Zhu, Sabine Maier, Thomas Heine
Read original paper ↗ ·Machine Learning for Electrocatalyst and Photocatalyst Design and Discovery
Chemical Reviews · 2022
Haoxin Mai, Tu C. Le, Dehong Chen, David Alan Winkler, Rachel A. Caruso
Read original paper ↗ ·Improved Predictions of Organic Photovoltaic Performance through Machine Learning Models Empowered by Artificially Generated Failure Data
Chemistry of Materials · 2022
Yuta Miyake, Kakaraparthi Kranthiraja, Fumitaka Ishiwari, Akinori Saeki
Read original paper ↗ ·The principles, design and applications of fused-ring electron acceptors
Nature Reviews Chemistry · 2022
Jiayu Wang, Peiyao Xue, Yiting Jiang, Yong Huo, Xiaowei Zhan
Read original paper ↗ ·Automatic Evolution of Machine-Learning-Based Quantum Dynamics with Uncertainty Analysis
Journal of Chemical Theory and Computation · 2022
Kunni Lin, Jiawei Peng, Chao Xu, Feng Long Gu, Zhenggang Lan
Read original paper ↗ ·Recent advances in machine learning for electronic excited state molecular dynamics simulations
Royal Society of Chemistry eBooks · 2022
Brigitta Bachmair, Madlen Maria Reiner, Maximilian Xaver Tiefenbacher, Philipp Marquetand
Read original paper ↗ ·Self-assembled supramolecular artificial light-harvesting nanosystems: construction, modulation, and applications
Nanoscale Advances · 2022
Xu‐Man Chen, Xiao Dong Chen, Xiaofang Hou, Shu Zhang, Dongzhong Chen, Quan Li
Read original paper ↗ ·Alleviating Drought Stress Effects on Photosynthetic Productivity of Larix Decidua Through Physiological Process by Management Measures
SSRN Electronic Journal · 2023
Chunyan Wu, Tingdong Yang, Min Cheng, Dongsheng Chen, Xiaomei Sun, Shougong Zhang
Read original paper ↗ ·Artificial Intelligence in Formulation and Product Design of BCS Class I and II Drugs
Lecture notes in networks and systems · 2023
Jayant Singh Goud, Sanjay Kumar Elisetti, Navneet Kaur, Ranjit Singh, Kamaljit Singh Saini, Vimal Arora
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 ↗ ·Process Insights into Perovskite Thin‐Film Photovoltaics from Machine Learning with In Situ Luminescence Data
Solar RRL · 2023
Felix Laufer, Sebastian Ziegler, Fabian Schackmar, Edwin A. Moreno Viteri, Markus Götz, Charlotte Debus, Fabian Isensee, Ulrich W. Paetzold
Read original paper ↗ ·