Elucidating the constitutive relationship of calcium–silicate–hydrate gel using high throughput reactive molecular simulations and machine learning

Fracture toughness of sodium aluminosilicate hydrate (NASH) gels: Insights from molecular dynamics simulations

(2020) Gideon A. Lyngdoh et al.   JOURNAL OF APPLIED PHYSICS

Predicting the Young’s Modulus of Silicate Glasses using High-Throughput Molecular Dynamics Simulations and Machine Learning

(2019) Kai Yang et al.   Scientific Reports

Realistic atomic structure of fly ash-based geopolymer gels: Insights from molecular dynamics simulations

(2019) Gideon A. Lyngdoh et al.   JOURNAL OF CHEMICAL PHYSICS

Predicting Young's modulus of oxide glasses with sparse datasets using machine learning

(2019) Suresh Bishnoi et al.   JOURNAL OF NON-CRYSTALLINE SOLIDS

Predicting compressive strength of lightweight foamed concrete using extreme learning machine model

(2018) Zaher Mundher Yaseen et al.   ADVANCES IN ENGINEERING SOFTWARE

Predicting the dissolution kinetics of silicate glasses using machine learning

(2018) N.M. Anoop Krishnan et al.   JOURNAL OF NON-CRYSTALLINE SOLIDS

Can the compressive strength of concrete be estimated from knowledge of the mixture proportions?: New insights from statistical analysis and machine learning methods

(2018) Benjamin A. Young et al.   CEMENT AND CONCRETE RESEARCH

Development of a ReaxFF Reactive Force Field for NaSiOx/Water Systems and Its Application to Sodium and Proton Self-Diffusion

(2018) Seung Ho Hahn et al.   Journal of Physical Chemistry C

Cements in the 21st century: Challenges, perspectives, and opportunities

(2017) Joseph J. Biernacki et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

Machine learning in materials informatics: recent applications and prospects

(2017) Rampi Ramprasad et al.   npj Computational Materials

Densification of the interlayer spacing governs the nanomechanical properties of calcium-silicate-hydrate

(2017) Guoqing Geng et al.   Scientific Reports

Confined Water in Layered Silicates: The Origin of Anomalous Thermal Expansion Behavior in Calcium-Silicate-Hydrates

(2016) N. M. Anoop Krishnan et al.   ACS Applied Materials & Interfaces

Mesoscale texture of cement hydrates

(2016) Katerina Ioannidou et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Calcium silicate hydrates: Solid and liquid phase composition

(2015) Barbara Lothenbach et al.   CEMENT AND CONCRETE RESEARCH

Relation between Chemical Composition and Physical Properties of C-S-H Generated from Cementitious Materials

(2015) Yuya Suda et al.   Journal of Advanced Concrete Technology

Fracture toughness of calcium–silicate–hydrate from molecular dynamics simulations

(2015) M. Bauchy et al.   JOURNAL OF NON-CRYSTALLINE SOLIDS

Grand Challenges in Structural Materials

(2015) John L. Provis   Frontiers in Materials

Structural, vibrational, and elastic properties of a calcium aluminosilicate glass from molecular dynamics simulations: The role of the potential

(2014) M. Bauchy   JOURNAL OF CHEMICAL PHYSICS

Order and disorder in calcium–silicate–hydrate

(2014) M. Bauchy et al.   JOURNAL OF CHEMICAL PHYSICS

Anomalous composition-dependent dynamics of nanoconfined water in the interlayer of disordered calcium-silicates

(2014) Mohammad Javad Abdolhosseini Qomi et al.   JOURNAL OF CHEMICAL PHYSICS

Combinatorial molecular optimization of cement hydrates

(2014) M.J. Abdolhosseini Qomi et al.   Nature Communications

Model structures for C-(A)-S-H(I)

(2014) Ian G. Richardson   Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials

Structure and properties of sodium aluminosilicate glasses from molecular dynamics simulations

(2013) Ye Xiang et al.   JOURNAL OF CHEMICAL PHYSICS

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

(2013) Anubhav Jain et al.   APL Materials

AFLOW: An automatic framework for high-throughput materials discovery

(2012) Stefano Curtarolo et al.   COMPUTATIONAL MATERIALS SCIENCE

Densification of C–S–H Measured by 1H NMR Relaxometry

(2012) Arnaud C. A. Muller et al.   Journal of Physical Chemistry C

Prediction of the strength of mineral admixture concrete using multivariable regression analysis and an artificial neural network

(2011) U. Atici   EXPERT SYSTEMS WITH APPLICATIONS

Compositional Evolution of Calcium Silicate Hydrate (C-S-H) Structures by Total X-Ray Scattering

(2011) Sezen Soyer-Uzun et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

Confined Water Dissociation in Microporous Defective Silicates: Mechanism, Dipole Distribution, and Impact on Substrate Properties

(2011) Hegoi Manzano et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Relationships between Composition and Density of Tobermorite, Jennite, and Nanoscale CaO−SiO2−H2O

(2010) Jeffrey J. Thomas et al.   Journal of Physical Chemistry C

Using single- and multi-target regression trees and ensembles to model a compound index of vegetation condition

(2009) Dragi Kocev et al.   ECOLOGICAL MODELLING

A realistic molecular model of cement hydrates

(2009) R. J.-M. Pellenq et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Grand Canonical Monte Carlo Simulation Study of Water Adsorption in Silicalite at 300 K

(2008) Joël Puibasset et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Engineering the bonding scheme in C–S–H: The iono-covalent framework

(2007) R.J.-M. Pellenq et al.   CEMENT AND CONCRETE RESEARCH