Massimiliano Lupo Pasini Data Scientist Contact lupopasinim@ornl.gov | 865.341.0040 All Publications User Manual - HydraGNN: Distributed PyTorch Implementation of Multi-Headed Graph Convolutional Neural Networks Two excited-state datasets for quantum chemical UV-vis spectra of organic molecules Graph neural networks predict energetic and mechanical properties for models of solid solution metal alloy phases... Machine Learning for First Principles Calculations of Material Properties for Ferromagnetic Materials Hierarchical Model Reduction Driven by Machine Learning for Parametric Advection-Diffusion-Reaction Problems in the Presence ... Computational Workflow for Accelerated Molecular Design Using Quantum Chemical Simulations and Deep Learning Models... A Neural Network Approach to Predict Gibbs Free Energy of Ternary Solid Solutions... Scalable training of graph convolutional neural networks for fast and accurate predictions of HOMO-LUMO gap in molecules... Study of solid molecular deuterium D2 growth under gas pressure... Stable parallel training of Wasserstein conditional generative adversarial neural networks... Multi-task graph neural networks for simultaneous prediction of global and atomic properties in ferromagnetic systems... Fast and Accurate Predictions of Total Energy for Solid Solution Alloys with Graph Convolutional Neural Networks... Anderson Acceleration for Distributed Training of Deep Learning Models... Hierarchical Model Reduction Driven by a Proper Orthogonal Decomposition for Parametrized Advection-Diffusion-Reaction Proble... Stable Parallel Training of Wasserstein Conditional Generative Adversarial Neural Networks : *Full/Regular Research Paper sub... Scalable balanced training of conditional generative adversarial neural networks on image data... A scalable algorithm for the optimization of neural network architectures... Fast and stable deep-learning predictions of material properties for solid solution alloys... Benchmark of the LAMMPS code on CRESCO and SUMMIT HPC systems A Parallel Strategy for Density Functional Theory Computations on Accelerated Nodes... Convergence analysis of Anderson‐type acceleration of Richardson's iteration... Key Links Curriculum Vitae Google Scholar ORCID LinkedIn Organizations Computing and Computational Sciences Directorate Computational Sciences and Engineering Division Advanced Computing Methods for Engineered Systems Section Computational Coupled Physics
