Inferring Phase Transitions and Critical Exponents from Limited Observations with Thermodynamic Maps

Inferring Phase Transitions and Critical Exponents from Limited Observations with Thermodynamic Maps Academic Background Phase transitions are ubiquitous phenomena in nature, ranging from the boiling of water to the ferromagnetic-paramagnetic transition in magnetic materials, and even to conformational changes in biomolecules such as proteins and n...

Regulation of Metal Bond Strength Enables Large-Scale Synthesis of Intermetallic Nanocrystals for Practical Fuel Cells

In recent years, fuel cells, as a clean and renewable energy technology, have garnered widespread attention. However, the extensive application of fuel cells faces the challenge of the stability of oxygen reduction reaction (ORR) electrocatalysts. L10-structured intermetallic nanocrystals (INCs) with chemically ordered structures, due to their lowe...

Efficient Learning of Accurate Surrogates for Simulations of Complex Systems

This research proposes an online learning method for efficiently constructing surrogate models that can accurately emulate complex systems. The method consists of three key components: Sampling strategy for generating new training and testing data; Learning strategy for generating candidate surrogate models based on the training data; Validation me...