Topics¶

Browse digests by research theme.

Solid Electrolytes¶

Halide, sulfide, oxide, and polymer solid electrolytes — ionic conductivity, stability, processing.

• 2026 Roadmap on Next-Generation Solid Electrolytes
• Design Space of Self-Consistent Electrostatic MLIPs
• Dendrite Growth in Ceramic Electrolytes
• MLIP Validation for Electrolyte Solvation

ML Interatomic Potentials¶

Universal MLIPs, fine-tuning strategies, uncertainty quantification, new architectures.

• Bias in Universal MLIPs and its Effects on Fine-Tuning
• PFP v8: Universal MLIP with r2SCAN Functional
• Predicting Crystal Structures in Li₃YCl₆₋ₓBrₓ Using Fine-Tuned CHGNet
• Latent Space Design of Interatomic Potentials
• EquiEwald: Long-Range MLIPs
• GPUMDkit: NEP Workflow Toolkit
• Multi-Fidelity MLIPs for Charged Defects
• Safety Certificates for MLIP Screening
• Mixture of Experts for MLIPs
• Scalable Attention for Long-Range MLIPs

Polymer Electrolytes¶

Polymer electrolyte design, ion transport mechanisms, high-throughput screening.

• Discovery of Polymer Electrolytes with Bayesian Optimization
• Hydroxide Ion Transport via MLIP

Phase Field / Dendrites¶

Phase field modeling, dendrite growth, surrogate models for PDE solvers.

• Adaptive Uncertainty-Guided Surrogates for Phase Field Dendritic Solidification
• Dendrite Growth in Ceramic Electrolytes

Defects & Interfaces¶

Defect chemistry, grain boundaries, electrolyte/electrode interfaces.

• Scaling Autoregressive Models for Lattice Thermodynamics
• EquiEwald: Long-Range MLIPs
• Design Space of Self-Consistent Electrostatic MLIPs
• Multi-Fidelity MLIPs for Charged Defects

Tools & Workflows¶

Simulation toolkits, workflow automation, benchmarks, software.

• Safety Certificates for MLIP Screening