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Kai Yang
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Cooling rate effects in sodium silicate glasses: Bridging the gap between molecular dynamics simulations and experiments
X Li, W Song, K Yang, NM Krishnan, B Wang, MM Smedskjaer, JC Mauro, ...
The Journal of Chemical Physics 147 (7), 2017
1382017
Machine learning for glass science and engineering: A review
H Liu, Z Fu, K Yang, X Xu, M Bauchy
Journal of Non-Crystalline Solids 557, 119419, 2021
1372021
Predicting the Young’s modulus of silicate glasses using high-throughput molecular dynamics simulations and machine learning
K Yang, X Xu, B Yang, B Cook, H Ramos, NMA Krishnan, MM Smedskjaer, ...
Scientific reports 9 (1), 8739, 2019
1362019
Prediction of the Young's modulus of silicate glasses by topological constraint theory
K Yang, B Yang, X Xu, C Hoover, MM Smedskjaer, M Bauchy
Journal of Non-Crystalline Solids 514, 15-19, 2019
442019
Controls on CO2 Mineralization Using Natural and Industrial Alkaline Solids under Ambient Conditions
EC La Plante, I Mehdipour, I Shortt, K Yang, D Simonetti, M Bauchy, ...
ACS Sustainable Chemistry & Engineering 9 (32), 10727-10739, 2021
292021
Machine learning enables rapid screening of reactive fly ashes based on their network topology
Y Song, K Yang, J Chen, K Wang, G Sant, M Bauchy
ACS Sustainable Chemistry & Engineering 9 (7), 2639-2650, 2021
252021
New insights into the atomic structure of amorphous TiO2 using tight-binding molecular dynamics
K Yang, A Kachmar, B Wang, NM Krishnan, M Balonis, G Sant, M Bauchy
The Journal of Chemical Physics 149 (9), 2018
142018
Analytical Model of the Network Topology and Rigidity of Calcium Aluminosilicate Glasses
K Yang, Y Hu, Z Li, NMA Krishnan, MM Smedskjaer, CG Hoover, ...
Journal of the American Ceramic Society, 2021
132021
Topological controls on aluminosilicate glass dissolution: Complexities induced in hyperalkaline aqueous environments
T Oey, EC La Plante, G Falzone, K Yang, A Wada, M Bauchy, JW Bullard, ...
Journal of the American Ceramic Society 103 (11), 6198-6207, 2020
132020
Decoupling of indentation modulus and hardness in silicate glasses: Evidence of a shear-to densification-dominated transition
M Kazembeyki, K Yang, JC Mauro, MM Smedskjaer, M Bauchy, ...
Journal of Non-Crystalline Solids 553, 120518, 2021
102021
Challenges and opportunities in atomistic simulations of glasses: a review
H Liu, Z Zhao, Q Zhou, R Chen, K Yang, Z Wang, L Tang, M Bauchy
Comptes Rendus. Géoscience 354 (S1), 35-77, 2022
82022
Predicting the Young’s Modulus of Silicate Glasses using High-Throughput Molecular Dynamics Simulations and Machine Learning, Sci Rep. 9 (2019) 1–11
K Yang, X Xu, B Yang, B Cook, H Ramos, NMA Krishnan, MM Smedskjaer, ...
6
Rigidity theory of glass: Determining the onset temperature of topological constraints by molecular dynamics
Y Hu, Z Liu, K Yang, NMA Krishnan, MM Smedskjaer, G Sant, M Bauchy
Journal of Non-Crystalline Solids 554, 120614, 2021
52021
Predicting the young’s modulus of silicate glasses using highthroughput molecular dynamics simulations and machine learning. Sci Rep. 2019; 9 (1): 8739
K Yang, X Xu, B Yang, B Cook, H Ramos, NMA Krishnan, MM Smedskjaer, ...
Springer Series in Materials Science, 0
5
Rapid Elemental Extraction from Ordered and Disordered Solutes by Acoustically-Stimulated Dissolution
S Dong, R Arnold, K Yang, EC La Plante, S Bustillos, A Kumar, B Wang, ...
ACS Engineering Au 1 (2), 122-133, 2021
12021
Predicting the Young’s modulus of silicate glasses by molecular dynamics simulations and machine learning
K Yang
University of California, Los Angeles, 2020
12020
Topological Constraint Theory of Glass: Counting Constraints by Molecular Dynamics Simulations
Y Hu, H Liu, K Yang, Q Zhou, CG Hoover, NMA Krishnan, MM Smedskjaer, ...
Atomistic Simulations of Glasses: Fundamentals and Applications, 123-148, 2022
2022
Topology-Informed Machine Learning for Predicting Glass Stiffness
K Yang, B Yang, N Krishnan, CG Hoover, MM Smedskjær, M Bauchy
2021
Predicting the Young’s modulus of silicate glasses by molecular dynamics simulations and
K Yang
2020
Environmental sensitivity of the topological model for aluminosilicate glass dissolution
T Oey, E Callagon, K Yang, M Bauchy, J Bullard, G Sant
Journal of the American Ceramic Society, 2019
2019
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Articles 1–20