Research Digest — 2026-07-07¶

ML Interatomic Potentials¶

1. Evaluating Machine-Learned Inter-Atomic Potentials for a Practical Simulation Workflow ¶

Source: ICLR 2026 Blogposts · 📅 2026 · ↗ Open paper

Practical evaluation of modern MLIPs (SchNet, NequIP, Orb-v2/v3, eSEN, UMA) integrated into MD workflows (ASE, LAMMPS). Benchmarks inference speed and accuracy on CO2 diffusion and adsorption tasks, highlighting friction points in real simulation workflows.

Relevance to DENG.Group

Valuable for Yanhao and Tim — inference speed comparisons and LAMMPS integration guidance directly applicable to the group's computational infrastructure.

Solid Electrolytes¶

2. Polymer-Sulfide Composite Solid Electrolytes: Design, Interfacial Chemistry, and Performance ¶

Source: Batteries & Supercaps (Wiley) · 📅 2025 · ↗ Open paper

Reports polymer-sulfide composite SE films with high ionic conductivity (1.1 mS/cm) and tensile strength (74 MPa), featuring in-situ Li3N-rich interphase formation. Demonstrates how combining polymer flexibility with sulfide conductivity addresses individual weaknesses of each material class.

Relevance to DENG.Group

Relevant to Naibing's solid polymer electrolyte and composite simulation work — experimental benchmarks and design concepts for polymer-inorganic composites.

Research Digest — 2026-07-07¶

ML Interatomic Potentials¶

1. Evaluating Machine-Learned Inter-Atomic Potentials for a Practical Simulation Workflow¶

Solid Electrolytes¶

2. Polymer-Sulfide Composite Solid Electrolytes: Design, Interfacial Chemistry, and Performance¶

1. Evaluating Machine-Learned Inter-Atomic Potentials for a Practical Simulation Workflow ¶

2. Polymer-Sulfide Composite Solid Electrolytes: Design, Interfacial Chemistry, and Performance ¶