The Guo Lab

IN BRIEF

We study lanthanide and actinide materials for nuclear energy and heavy element chemistry. Our multi-scale thermodynamics connects experiments, atomistic modeling, and data science to understand materials stability and transformations.

Our approach combines:

[exp-model] Calorimetry and thermodynamic modeling

[exp] X-ray and neutron scattering, and X-ray absorption spectroscopy

[exp] Characterization under extreme conditions including high pressures and high temperatures

[model] Electronic and atomistic modeling

[data] Machine learning and data-driven frameworks

Current Research

Front end

Critical Minerals

Rare-earth mineralization, speciation and separation for resource recovery.

Focus areas

Hydrothermal chemistry · Rare-earth recovery · Molecular complexes

Front end

Nuclear Fuels

Thermochemistry, bonding and degradation of oxide, carbide and nitride fuels.

Focus areas

Fuel thermochemistry · Defect chemistry · Thermal expansion

Qualification

Molten Salts

Mixing, structure and thermophysical properties of salts for nuclear energy.

Focus areas

Calorimetry · Salt mixtures · Molecular simulation

Qualification

Extreme Materials

How heat, pressure and chemical environments transform complex materials.

Focus areas

High-temperature diffraction · Pressure-induced transitions · Complex ceramics

Qualification

Defects & Irradiation

Modeling defects, transport and materials evolution under irradiation.

Focus areas

Defect thermodynamics · Fission products · Cluster dynamics

Back end

f-Element Chemistry

Bonding, speciation and selective separation of actinides and lanthanides.

Focus areas

Molecular complexes · Electronic structure · Separation chemistry

Back end

Waste Forms

Durable ceramics and minerals for immobilizing radioactive elements.

Focus areas

Actinide silicates · Phosphates · Phase stability

Across the cycle

Predictive Thermodynamics

Connect experiments, atomistic modeling and AI to predict materials behavior.

Focus areas

Calorimetry and diffraction · Atomistic simulation · Thermodynamic modeling · AI and machine learning

NEWS

Formation of lanthanide-bearing uranium nitride and reactions after dry or wet cladding breach

Oct 7, 2026

Lanthanide nitrides: formation and oxidation

Pascal Uhlemann, Will Vance, and collaborators at Forschungszentrum Jülich investigate how binary lanthanide nitrides form and oxidize at high temperatures. The work informs questions about the stability of uranium-nitride nuclear fuels.

Abstract figure for pressure-induced transitions in uranium–thorium silicate solid solutions

Sep 18, 2026

Non-ideal mixing controls pressure-induced transitions

Shinhyo Bang combines high-pressure diffraction and thermodynamic modeling to study uranium–thorium silicates. The work shows how non-ideal mixing can reverse expected trends in transition pressure, connecting composition with pressure-driven phase changes.