Force Field and a Surface Model Database for Silica to Simulate Interfacial Properties in Atomic Resolution

By F. Emami, V. Puddu, R. Berry, V. Varshney, Siddharth V. Patwardhan, Carole C. Perry, Hendrik Heinz. 2014

501 citations recorded by the source corpus.

Subfields: Biomaterials, Computational Mechanics, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/3bf91d06fc0848ea7f607642fde39ec825991ce5

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Biomaterials

1. Hendrik Heinz
2. Tzu-Jen Lin
3. Ratan K. Mishra
4. Robert J. Flatt
5. A. Kalinichev
6. R. Pellenq
7. Jianwei Wang
8. R. James Kirkpatrick

In Computational Mechanics

1. Robert J. Flatt

In Materials Chemistry

1. Robert J. Flatt
2. P. Bowen
3. A. Kalinichev
4. Hendrik Heinz
5. Jianwei Miao
6. Adri C. T. van Duin
7. R. Pellenq
8. H. Manzano

Citations in the corpus

• Reliable computational design of biological-inorganic materials to the large nanometer scale using Interface-FF (2017, background): “…achieves 0 to 10% agreement with experiment for unknown combinatorial interfaces such as DNA/ included clay minerals [22], silicates and aluminates [23–25], fcc metals [26], sulphates, phosphates, polyethylene oxide and full consistency with existing parameters for polymers and biomol-ecules…”
• cemff: A force field database for cementitious materials including validations, applications and opportunities (2017, background): “IFF provides validated atomistic model of calcium sulfates, silica, tricalcium aluminate, ettringite, pH-sensitive hydroxylated C⁠ 3S surface, tobermorites and monosulfate minerals [50,51,84,85].”