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Lei Tao
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cemff: A force field database for cementitious materials including validations, applications and opportunities
RK Mishra, AK Mohamed, D Geissbühler, H Manzano, T Jamil, ...
Cement and concrete research 102, 68-89, 2017
1802017
Benchmarking Machine Learning Models for Polymer Informatics: An Example of Glass Transition Temperature
L Tao, V Varshney, Y Li
Journal of Chemical Information and Modeling 61 (11), 5395-5413, 2021
842021
Machine learning enables interpretable discovery of innovative polymers for gas separation membranes
J Yang, L Tao, J He, JR McCutcheon, Y Li
Science advances 8 (29), eabn9545, 2022
762022
Machine learning discovery of high-temperature polymers
L Tao, G Chen, Y Li
Patterns 2 (4), 100225, 2021
672021
Predicting Polymers’ Glass Transition Temperature by a Chemical Language Processing Model
G Chen, L Tao, Y Li
Polymers 13 (11), 1898, 2021
492021
Diffusive, displacive deformations and local phase transformation govern the mechanics of layered crystals: The case study of tobermorite
L Tao, R Shahsavari
Scientific reports 7 (1), 5907, 2017
372017
Edge dislocations in dicalcium silicates: Experimental observations and atomistic analysis
R Shahsavari, L Chen, L Tao
Cement and Concrete Research 90, 80-88, 2016
322016
Interlaced, nanostructured interface with graphene buffer layer reduces thermal boundary resistance in nano/microelectronic systems
L Tao, S Theruvakkattil Sreenivasan, R Shahsavari
ACS applied materials & interfaces 9 (1), 989-998, 2017
292017
Integration of Machine Learning and Coarse-grained Molecular Simulations for Polymer Materials: physical understandings and molecular design
DT Nguyen, L Tao, Y Li
Frontiers in Chemistry, 1280, 2021
282021
Structure, energetics, and impact of screw dislocations in tricalcium silicates
R Shahsavari, L Tao, L Chen
Journal of the American Ceramic Society 99 (7), 2512-2520, 2016
232016
Machine Learning Strategies for the Structure-Property Relationship of Copolymers
L Tao, J Byrnes, V Varshney, Y Li
iScience, 2022
202022
Discovery of multi-functional polyimides through high-throughput screening using explainable machine learning
L Tao, J He, NE Munyaneza, V Varshney, W Chen, G Liu, Y Li
Chemical Engineering Journal 465, 142949, 2023
152023
Machine learning prediction on the fractional free volume of polymer membranes
L Tao, J He, T Arbaugh, JR McCutcheon, Y Li
Journal of Membrane Science 665, 121131, 2023
142023
High-Throughput Screening and Prediction of High Modulus of Resilience Polymers Using Explainable Machine Learning
T Yue, J He, L Tao, Y Li
Journal of Chemical Theory and Computation, 2023
32023
Machine learning-based prediction for single-cell mechanics
D Nguyen, L Tao, H Ye, Y Li
Mechanics of Materials 180, 104631, 2023
32023
Interfacial modification to anomalously facilitate thermal transport through cathode-separator composite in lithium-ion batteries
J He, W Xian, L Tao, P Corrigan, Y Li
Applied Surface Science 606, 155010, 2022
32022
Unified machine learning protocol for copolymer structure-property predictions
L Tao, T Arbaugh, J Byrnes, V Varshney, Y Li
STAR Protocols 3 (4), 101875, 2022
32022
Molecular self-assembled monolayers anomalously enhance thermal conductance across polymer–semiconductor interfaces
J He, L Tao, W Xian, T Arbaugh, Y Li
Nanoscale 14 (47), 17681-17693, 2022
32022
Mechanistic Data Science for Modeling and Design of Aerospace Composite Materials
S Mojumder, L Tao, Y Li, WK Liu
arXiv preprint arXiv:2112.00968, 2021
22021
Inverse Hall–Petch effect in nanocrystalline ice predicted by machine-learned coarse-grained molecular simulations
G Chen, L Tao, M Kröger, Y Li
Journal of Micromechanics and Molecular Physics, 1-10, 2022
12022
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