Fajar, Adroit T.N. – Data Science, Materials Design – I²CNER

I²CNER Research Seeds

Photo conversion
Electrical Conversion
CO₂ Separation
Chemicals

Data Science, Materials Design

Fajar, Adroit T.N.

Assistant Professor

Research Thrust : Advanced Energy Conversion Systems Thrust
E-mail :
Website : https://i2cner.kyushu-u.ac.jp/cesd/en/

Research Outline

Materials Design with Generative AI

Leveraging generative artificial intelligence (AI) to design a wide array of novel chemical structures with tailored properties.

Property Prediction with ML

Predicting the physicochemical properties of unexplored molecular and crystal structures using machine learning (ML).

Research Methods and Facilities

Methods

Generative AI: VAE, GAN, fine-tuned LLM
Machine Learning: Random Forest, XGBoost, SMILES-X
Optimization: Bayesian Optimization

Facilities

GPU Server: 4 NVIDIA A5000 GPUs are available for use, with additional computing power on the way.

All Research Seeds