Yongxin Lyu

Hi! I am a computational materials scientist. I’m interested in exploring the chemical space of materials using high-throughput
computational methods and interpretable machine learning
.
I completed my BSc and MPhil in Applied Physics at the Hong Kong Polytechnic University, where I explored two-dimensional materials using experimental and computational approaches in Professor Jianhua Hao’s group.
At UNSW, I’m part of Professor Tom Wu’s group. My research focuses on inverse design
of 2D perovskites
using machine learning and first-principles calculations.
latest posts
Sep 16, 2025 | From a distant dream to reality -- my AI4Science journey |
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Aug 17, 2025 | A new chapter to my blog |
Aug 05, 2025 | Life after PhD |