2026 IEEE NTC TC10 Modeling & Simulation May Webinar

Title: AI-Driven Atomistic Modeling with Advance/NanoLabo: Bridging Simulation and Machine Learning

Date/Time: 13 May 2026, 18:00 Japan Standard Time (17:00 China, 11:00 Central European Summer Time, 10:00 UK)

Speaker: Satomichi Nishihara, Executive Officer and Software Developer ,AdvanceSoft Corporation

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Abstract:

In this talk, we present the latest developments and applications of Advance/NanoLabo, an integrated platform for first-principles calculations and molecular dynamics simulations. In particular, we highlight the “Autopilot” feature, which enables automatic generation of atomistic models from natural language input, significantly reducing the complexity and expertise traditionally required for modeling tasks.

We also demonstrate large-scale simulation results using machine learning interatomic potentials accelerated by GPU clusters, showcasing both computational efficiency and predictive accuracy. In addition, we briefly introduce our recent progress in orbital-free density functional theory (OF-DFT), based on our proprietary “Theory of Graphical.”

Speaker Bio:

Satomichi Nishihara is a software developer and Executive Officer at AdvanceSoft Corporation. He received his M.Sc. in Science from Osaka University in 2009 and joined AdvanceSoft in 2018.

As an open-source contributor, he has implemented several key methods in Quantum ESPRESSO, including RMM-DIIS and 3D-RISM/ESM-RISM. His work also includes the development of neural network-based interatomic potentials and machine learning-based density functionals, covering both algorithm design and software implementation.