Articles by Massimiliano Lupo Pasini | Synthical

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23

Transferable predictions of energetic and structural properties for refractory solid solution alloys across chemical compositions

9 January 2025 by Massimiliano Lupo Pasini and others at

Oak Ridge National Laboratory

Materials Science, Alloys

Scalable Training of Trustworthy and Energy-Efficient Predictive Graph Foundation Models for Atomistic Materials Modeling: A Case Study with HydraGNN

1 November 2024 by Massimiliano Lupo Pasini and others at

Oak Ridge National Laboratory

Machine Learning, Computational Physics

First-principles data for solid solution niobium-tantalum-vanadium alloys with body-centered-cubic structures

5 August 2024 by Massimiliano Lupo Pasini and others at

Oak Ridge National Laboratory

Materials Science, Alloys

Anderson acceleration with approximate calculations: applications to scientific computing

29 April 2024 by Massimiliano Lupo Pasini and M. Paul Laiu

Numerical Analysis, Instrumentation and Methods for Astrophysics

Transferable prediction of formation energy across lattices of increasing size

12 April 2024 by Massimiliano Lupo Pasini and others at

Oak Ridge National Laboratory

Materials Science, Inorganic Chemistry

DFT calculations for solid solution niobium-tantalum-vanadium alloys with body-centered-cubic structures

7 February 2024 by Massimiliano Lupo Pasini and others at

Oak Ridge National Laboratory

Materials Science, Alloys

Invariant Features for Accurate Predictions of Quantum Chemical UV-vis Spectra of Organic Molecules

9 November 2023 by Justin Baker and others at

University of Utah

Theoretical and Computational Chemistry, Organic Chemistry

DeepSpeed4Science Initiative: Enabling Large-Scale Scientific Discovery through Sophisticated AI System Technologies

11 October 2023 by Shuaiwen Leon Song and others

Artificial Intelligence, Machine Learning

Two excited-state datasets for quantum chemical UV-vis spectra of organic molecules

25 July 2023 by Massimiliano Lupo Pasini and others at

Oak Ridge National Laboratory

Theoretical and Computational Chemistry, Organic Chemistry

Transferable prediction of formation energy across lattices of increasing size

12 July 2023 by Massimiliano Lupo Pasini and others at

Oak Ridge National Laboratory

Materials Science, Inorganic Chemistry

GDB-9-Ex and ORNL_AISD-Ex: Two open-source datasets for quantum chemical UV-vis electronic excitation spectra of organic molecules

7 March 2023 by Massimiliano Lupo Pasini and others at

Oak Ridge National Laboratory

Computational Chemistry and Modeling, Theoretical and Computational Chemistry

A deep learning approach for adaptive zoning

10 December 2022 by Massimiliano Lupo Pasini and others

Numerical Analysis, Artificial Intelligence

Graph neural networks predict energetic and mechanical properties for models of solid solution metal alloy phases

25 October 2022 by Massimiliano Lupo Pasini and others at

Oak Ridge National Laboratory

Alloys, Materials Science

A deep learning approach to solve forward differential problems on graphs

7 October 2022 by Yuanyuan Zhao and Massimiliano Lupo Pasini

Machine Learning, Artificial Intelligence

A deep learning approach for detection and localization of leaf anomalies

7 October 2022 by Davide Calabrò and others

Computer Vision and Pattern Recognition, Machine Learning

A Neural Network Approach to Predict Gibbs Free Energy of Ternary Solid Solutions

12 September 2022 by Paul Laiu and others

Materials Science

Computational Workflow for Accelerated Molecular Design Using Quantum Chemical Simulations and Deep Learning Models

17 August 2022 by Andrew Blanchard and others at

Oak Ridge National Laboratory

Thermodynamics, Materials Chemistry

Machine Learning for First Principles Calculations of Material Properties for Ferromagnetic Materials

29 July 2022 by Markus Eisenbach and others

Materials Science, Computational Physics

Stable Parallel Training of Wasserstein Conditional Generative Adversarial Neural Networks

25 July 2022 by Massimiliano Lupo Pasini and Junqi Yin at

Oak Ridge National Laboratory

Artificial Intelligence, Computer Vision and Pattern Recognition

Scalable training of graph convolutional neural networks for fast and accurate predictions of HOMO-LUMO gap in molecules

22 July 2022 by Jong Youl Choi and others at

Oak Ridge National Laboratory

Machine Learning, Distributed, Parallel, and Cluster Computing

Hierarchical model reduction driven by machine learning for parametric advection-diffusion-reaction problems in the presence of noisy data

1 April 2022 by Massimiliano Lupo Pasini and Simona Perotto

Numerical Analysis, Machine Learning

Multi-task graph neural networks for simultaneous prediction of global and atomic properties in ferromagnetic systems

4 February 2022 by Massimiliano Lupo Pasini and others

Materials Science, Machine Learning

Stable Anderson Acceleration for Deep Learning

26 October 2021 by Massimiliano Lupo Pasini and others

Machine Learning, Numerical Analysis

Scalable Balanced Training of Conditional Generative Adversarial Neural Networks on Image Data

21 February 2021 by Massimiliano Lupo Pasini and others at

Oak Ridge National Laboratory

Computer Vision and Pattern Recognition, Artificial Intelligence

A scalable constructive algorithm for the optimization of neural network architectures

25 July 2020 by Massimiliano Lupo Pasini and others

Machine Learning, Neural and Evolutionary Computing

Fast and stable predictions of total energy of solid solution alloys

25 July 2020 by Massimiliano Lupo Pasini and others

Computational Physics, Materials Science

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Topics

Machine Learning Materials Science Numerical Analysis Artificial Intelligence Alloys Organic Chemistry Computational Physics Materials Chemistry Theoretical and Computational Chemistry Computational Chemistry and Modeling Chemoinformatics Photochemistry Computer Vision and Pattern Recognition Inorganic Chemistry Solid State Chemistry