Publications (13)
Local Off-Grid Weather Forecasting with Multi-Modal Earth Observation Data
Qidong Yang, Jonathan Giezendanner, Daniel Salles Civitarese +8
Urgent applications like wildfire management and renewable energy generation require precise, localized weather forecasts near the Earth's surface. However, forecasts produced by m…
Dynamic Metal-Support Interaction Dictates Cu Nanoparticle Sintering on AlO Surfaces
Jiayan Xu, Shreeja Das, Amar Deep Pathak +4
Nanoparticle sintering remains a critical challenge in heterogeneous catalysis. In this work, we present a unified deep potential (DP) model for Cu nanoparticles on three AlO$_…
Performance Analysis and Optimization of a Hybrid Distributed Reverse Time Migration Application
Sri Raj Paul, John Mellor-Crummey, Mauricio Araya-Polo +1
Applications to process seismic data employ scalable parallel systems to produce timely results. To fully exploit emerging processor architectures, application will need to employ…
AI and the Net-Zero Journey: Energy Demand, Emissions, and the Potential for Transition
Pandu Devarakota, Nicolas Tsesmetzis, Faruk O. Alpak +2
Thanks to the availability of massive amounts of data, computing resources, and advanced algorithms, AI has entered nearly every sector. This has sparked significant investment and…
Equation of state of fluid methane from first principles with machine learning potentials
Max Veit, Sandeep Kumar Jain, Satyanarayana Bonakala +3
The predictive simulation of molecular liquids requires models that are not only accurate, but computationally efficient enough to handle the large systems and long time scales req…
Benchmarking Universal Machine Learning Interatomic Potentials for Supported Nanoparticles: Decoupling Energy Accuracy from Structural Exploration
Jiayan Xu, Abhirup Patra, Amar Deep Pathak +3
Supported nanoparticle catalysts are widely used in the chemical industry. Computational modeling of supported nanoparticles based on density functional theory (DFT) often involves…