Materials Science · Physics
Machine Learning-Enhanced Design of Lead-Free Halide Perovskite Materials Using Density Functional Theory
Upendra Kumar, Hyeon Woo Kim, Gyanendra Kumar Maurya, Bincy Babu Raj +4
2024-07-23
Computational Physics · Physics
Predicting Compressive Strength of Consolidated Molecular Solids Using Computer Vision and Deep Learning
Brian Gallagher, Matthew Rever, Donald Loveland, T. Nathan Mundhenk +5
2020-03-02
Materials Science · Physics
Machine Learning Reveals Composition Dependent Thermal Stability in Halide Perovskites
Abigail R. Hering, Mansha Dubey, Elahe Hosseini, Meghna Srivastava +4
2025-04-25
Other Condensed Matter · Physics
Predicting quantum materials properties using novel faithful machine learning embeddings
Gavin Nop, Micah Mundy, Durga Paudyal, Jonathan Smith
2025-02-04
Materials Science · Physics
Machine Learning-Driven Crystal System Prediction for Perovskites Using Augmented X-ray Diffraction Data
Ansu Mathew, Ahmer A. B. Baloch, Alamin Yakasai, Hemant Mittal +2
2026-02-05
Materials Science · Physics
Machine Learning Design of Perovskite Catalytic Properties
Ryan Jacobs, Jian Liu, Harry Abernathy, Dane Morgan
2023-11-03
Materials Science · Physics
Interpretable Machine Learning for Materials Design
James Dean, Matthias Scheffler, Thomas A. R. Purcell, Sergey V. Barabash +2
2021-12-02
Materials Science · Physics
Transfer learning discovery of molecular modulators for perovskite solar cells
Haoming Yan, Xinyu Chen, Yanran Wang, Zhengchao Luo +9
2025-11-04
Applied Physics · Physics
Machine-Learning-Optimized Perovskite Nanoplatelet Synthesis
Carola Lampe, Ioannis Kouroudis, Milan Harth, Stefan Martin +2
2022-10-19
Signal Processing · Electrical Eng. & Systems
A Machine Learning Approach for Design of Frequency Selective Surface based Radar Absorbing Material via Image Prediction
Vijay Kumar Sutrakar, Anjana P K, Sajal Kesharwani, Siddharth Bisariya
2025-02-26
Materials Science · Physics
Molecular simulations of Perovskites CsXI3 (X = Pb,Sn) Using Machine-Learning Interatomic Potentials
Atefe Ebrahimi, Franco Pellegrini, Stefano De Gironcoli
2025-10-30
Machine Learning · Computer Science
Machine Learning with Knowledge Constraints for Process Optimization of Open-Air Perovskite Solar Cell Manufacturing
Zhe Liu, Nicholas Rolston, Austin C. Flick, Thomas W. Colburn +3
2022-02-08
Materials Science · Physics
Predictive Inorganic Synthesis based on Machine Learning using Small Data sets: a case study of size-controlled Cu Nanoparticles
Brent Motmans, Digvijay Ghogare, Thijs G. I. van Wijk, Joren Van Herck +4
2026-02-10
Materials Science · Physics
Identification of high-reliability regions of machine learning predictions in materials science using transparent conducting oxides and perovskites as examples
Evan M. Askanazi, Emanuel A. Lazar, Ilya Grinberg
2023-04-06
Materials Science · Physics
Machine Learning Materials Properties with Accurate Predictions, Uncertainty Estimates, Domain Guidance, and Persistent Online Accessibility
Ryan Jacobs, Lane E. Schultz, Aristana Scourtas, KJ Schmidt +6
2024-06-25
Machine Learning · Computer Science
Machine Learning Co-pilot for Screening of Organic Molecular Additives for Perovskite Solar Cells
Yang Pu, Zhiyuan Dai, Yifan Zhou, Ning Jia +5
2024-12-19
Materials Science · Physics
Designing Pr-based Advanced Photoluminescent Materials using Machine Learning and Density Functional Theory
Upendra Kumar, Hyeon Woo Kim, Sobhit Singh, Hyunseok Ko +1
2023-06-22
Materials Science · Physics
Towards machine learning for microscopic mechanisms: a formula search for crystal structure stability based on atomic properties
Udaykumar Gajera, Loriano Storchi, Danila Amoroso, Francesco Delodovici +1
2022-06-22
Chemical Physics · Physics
Quantum Machine Learning for Chemistry and Physics
Manas Sajjan, Junxu Li, Raja Selvarajan, Shree Hari Sureshbabu +4
2022-07-20
Chemical Physics · Physics
ML Models of Vibrating H$_2$CO: Comparing Reproducing Kernels, FCHL and PhysNet
Silvan Käser, Debasish Koner, Anders S. Christensen, O. Anatole von Lilienfeld +1
2020-11-06
Chemical Physics · Physics
From absorption spectra to charge transfer in PEDOT nanoaggregates with machine learning
Loïc M. Roch, Semion K. Saikin, Florian Häse, Pascal Friederich +3
2019-09-25