Publications by authors named "Mathieu Bauchy"

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Using graph neural network and symbolic regression to model disordered systems.
Ruoxia Chen, Mathieu Bauchy, Wei Wang, Yizhou Sun, Xiaojie Tao

Sci Rep· July 2025

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Force-Field Optimization by End-to-End Differentiable Atomistic Simulation.
Abhijeet Sadashiv Gangan, Ekin Dogus Cubuk, Samuel S Schoenholz, Mathieu Bauchy, N M Anoop Krishnan

J Chem Theory Comput· June 2025

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Investigation of Carbonation Kinetics in Carbonated Cementitious Materials by Reactive Molecular Dynamics Simulations.
Ling Qin, Qijie Xie, Jiuwen Bao, Gaurav Sant, Tiefeng Chen, Mathieu Bauchy

ACS Sustain Chem Eng· July 2024

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Effects of temperature and CO2 concentration on the early stage nucleation of calcium carbonate by reactive molecular dynamics simulations.
Ling Qin, Junyi Yang, Jiuwen Bao, Gaurav Sant, Sheng Wang, Mathieu Bauchy

J Chem Phys· June 2024

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De Novo Atomistic Discovery of Disordered Mechanical Metamaterials by Machine Learning.
Han Liu, Liantang Li, Zhenhua Wei, Morten M Smedskjaer, Xiaoyu Rayne Zheng, Mathieu Bauchy

Adv Sci (Weinh)· April 2024

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Deciphering the controlling factors for phase transitions in zeolitic imidazolate frameworks.
Tao Du, Shanwu Li, Sudheer Ganisetti, Mathieu Bauchy, Yuanzheng Yue

Natl Sci Rev· April 2024

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Predicting rare earth elements concentration in coal ashes with multi-task neural networks.
Yu Song, Yifan Zhao, Alex Ginella, Benjamin Gallagher, Gaurav Sant, Mathieu Bauchy

Mater Horiz· March 2024

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Fly ash degree of reaction in hypersaline NaCl and CaCl brines: Effects of calcium-based additives.
Marie Collin, Yu Song, Dale P Prentice, Ross A Arnold, Kirk Ellison, Mathieu Bauchy

Waste Manag· October 2023

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Atomistic origin of kinetics in hydrated aluminosilicate gels upon precipitation.
Cheng Zhao, Jiahui Yu, Xuyong Chen, Qiaoyun Wu, Wei Zhou, Mathieu Bauchy

J Chem Phys· October 2023

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Rapid inverse design of metamaterials based on prescribed mechanical behavior through machine learning.
Chan Soo Ha, Desheng Yao, Zhenpeng Xu, Chenang Liu, Han Liu, Mathieu Bauchy

Nat Commun· September 2023

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Learning molecular dynamics: predicting the dynamics of glasses by a machine learning simulator.
Han Liu, Zijie Huang, Samuel S Schoenholz, Ekin D Cubuk, Morten M Smedskjaer, Mathieu Bauchy

Mater Horiz· August 2023

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Electrosteric Control of the Aggregation and Yielding Behavior of Concentrated Portlandite Suspensions.
Sharu Bhagavathi Kandy, Narayanan Neithalath, Mathieu Bauchy, Aditya Kumar, Edward Garboczi

Langmuir· August 2023

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The Crystallization of Disordered Materials under Shock Is Governed by Their Network Topology.
Longwen Tang, Pratyush Srivastava, Vijay Gupta, Mathieu Bauchy

Adv Sci (Weinh)· July 2023

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Water as a Modifier in a Hybrid Coordination Network Glass.
Søren S Sørensen, Xiangting Ren, Tao Du, Ayoub Traverson, Shibo Xi, Mathieu Bauchy

Small· April 2023

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Revealing the relationship between liquid fragility and medium-range order in silicate glasses.
Ying Shi, Binghui Deng, Ozgur Gulbiten, Mathieu Bauchy, Qi Zhou

Nat Commun· January 2023

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New insights into the early stage nucleation of calcium carbonate gels by reactive molecular dynamics simulations.
Ling Qin, Xingtai Mao, Yifei Cui, Jiuwen Bao, Gaurav Sant, Mathieu Bauchy

J Chem Phys· December 2022

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Resolving the Conflict between Strength and Toughness in Bioactive Silica-Polymer Hybrid Materials.
Wei Fan, Tao Du, Aida Droce, Lars R Jensen, Randall E Youngman, Mathieu Bauchy

ACS Nano· June 2022

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Beyond the Average: Spatial and Temporal Fluctuations in Oxide Glass-Forming Systems.
Katelyn A Kirchner, Daniel R Cassar, Edgar D Zanotto, Madoka Ono, Seong H Kim, Mathieu Bauchy

Chem Rev· May 2022

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Experimental evidence of auxeticity in ion implanted single crystal calcite.
Michael E Liao, Chao Li, Nachiket Shah, Yi-Hsuan Hsiao, Mathieu Bauchy

Sci Rep· April 2022

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Predicting Fracture Propensity in Amorphous Alumina from Its Static Structure Using Machine Learning.
Tao Du, Han Liu, Longwen Tang, Søren S Sørensen, Mathieu Bauchy

ACS Nano· November 2021

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Experimental method to quantify the ring size distribution in silicate glasses and simulation validation thereof.
Qi Zhou, Ying Shi, Binghui Deng, Jörg Neuefeind, Mathieu Bauchy

Sci Adv· July 2021

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Topological origin of phase separation in hydrated gels.
Cheng Zhao, Wei Zhou, Qi Zhou, Zhe Wang, Gaurav Sant, Mathieu Bauchy

J Colloid Interface Sci· May 2021

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Bond Switching in Densified Oxide Glass Enables Record-High Fracture Toughness.
Theany To, Søren S Sørensen, Johan F S Christensen, Rasmus Christensen, Lars R Jensen, Mathieu Bauchy

ACS Appl Mater Interfaces· April 2021

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Interatomic potential parameterization using particle swarm optimization: Case study of glassy silica.
Rasmus Christensen, Søren S Sørensen, Han Liu, Kevin Li, Mathieu Bauchy

J Chem Phys· April 2021

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The energy landscape governs ductility in disordered materials.
Longwen Tang, Han Liu, Gang Ma, Tao Du, Normand Mousseau, Mathieu Bauchy

Mater Horiz· April 2021

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