Hongxia Hao
Senior Researcher
About
Hongxia Hao is a senior researcher at Microsoft Research AI for Science, Shanghai. Before joining MSR, she earned her Ph.D. in Chemistry at Brown University and conducted postdoc at UC Berkeley, with mixed training on experiment and theory. Her interest lies in the intersection of computational chemistry and computer science. At Microsoft Research, her work focuses on AI-accelerated materials and chemistry discovery and design, with broader exploration into the role of AI in advancing scientific discovery across disciplines.
Featured content
MatterSim: A deep-learning model for materials under real-world conditions
Property prediction for materials under realistic conditions has been a long-standing challenge within the digital transformation of materials design. MatterSim investigates atomic interactions from the very fundamental principles of quantum mechanics.
MatterGen: A new paradigm of materials design with generative AI
Microsoft researchers introduce MatterGen, a model that can discover new materials tailored to specific needs—like efficient solar cells or CO2 recycling—advancing progress beyond trial-and-error experiments.
Distributional Graphormer: Toward equilibrium distribution prediction for molecular systems
Distributional Graphormer, Microsoft’s new deep learning framework for predicting the equilibrium distribution of molecular structures, can generate realistic and diverse molecular structures with high efficiency and low cost.