Pin Chen

Crystal Structure Prediction by Joint Equivariant Diffusion

Crystal Structure Prediction (CSP) is crucial in various scientific disciplines. While CSP can be addressed by employing currently-prevailing generative models (e.g. diffusion models), this task...

HPC-AI Coupling Methodology for Scientific Applications

Artificial intelligence (AI) technologies have fundamentally transformed numerical-based high-performance computing (HPC) applications with data-driven approaches and endeavored to address...

Facilitating System-of-Systems Evolution with Architecture Support

HHVSF: A Framework to Accelerate Drug-Based High-Throughput Virtual Screening on High-Performance Computers

Efficient Coupling Streaming AI and Ensemble Simulations on HPC Clusters

ECD: A Machine Learning Benchmark for Predicting Enhanced-Precision Electronic Charge Density in Crystalline Inorganic Materials

Learning Superconductivity from Ordered and Disordered Material Structures

Crystal Structure Prediction by Joint Equivariant Diffusion

No-Data-Driven Crystal Structure Prediction via Model-Free Reinforcement Learning

A Game Theory Perspective on TCP Congestion Control Evaluation

A Game Theory Perspective on IP Routing Protocols Evaluation

UniHam: A Large-Scale SOC-Complete Dataset and Benchmark for Hamiltonian Learning in Materials

Architecture Support for System-of-Systems Evolution

ABCOM: A Parallelism Revelation Model

High-Resolution Source Estimation of Volcanic Sulfur Dioxide Emissions Using Large-Scale Transport Simulations

Equivariant Diffusion for Crystal Structure Prediction

Architecture-Based Interoperability Evaluation in Evolutions of Networked Enterprises

A Comparative Analysis of Architecture Frameworks