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Doctoral School

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Sun. Sep 27, 2026

Mon. Sep 28, 2026

Tue. Sep 29, 2026

Wed. Sep 30, 2026

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Dr. Takahiro Ohkubo (Chiba University) Lecture: Atomistic Modeling of Cementitious Materials: From Classical to Machine-Learning Interatomic Potentials Molecular dynamics (MD) simulations originated in the late 1950s and have since been applied to a wide range of materials, including cementitious materials. They are now widely used to understand structures and the dynamic behavior of atoms and molecules that are difficult to observe directly by experimental methods. In this lecture, I will outline the fundamental theory of MD simulations and discuss key concepts for applying them to cementitious materials, including modeling strategies and interatomic potentials. I will also introduce machine-learning interatomic potentials, a rapidly developing field in recent years, with a focus on their basic principles and current applications.

Doctoral School/Dr. Takahiro Ohkubo (DFT, MD)

2nd MC3 Conference

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[phD_9JqA-1add]Doctoral School

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