Session Details
[Doctoral School]Doctoral School/Dr. Takahiro Ohkubo (DFT, MD)
Sun. Sep 27, 2026 1:30 PM - 2:45 PM JST
Sun. Sep 27, 2026 4:30 AM - 5:45 AM UTC
Sun. Sep 27, 2026 4:30 AM - 5:45 AM UTC
HASEKO-KUMA Hall(Engineering Bldg11)
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.
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.