List of works - Nicholas Lubbers

A physics-informed and hierarchically regularized data-driven model for predicting fluid flow through porous media

scientific article published in 2021

Approaching coupled cluster accuracy with a general-purpose neural network potential through transfer learning ⬇️

scientific article published on 01 July 2019

Approaching coupled cluster accuracy with a general-purpose neural network potential through transfer learning

Deep learning of dynamically responsive chemical Hamiltonians with semiempirical quantum mechanics

scientific article published in 2022

Discovering a Transferable Charge Assignment Model Using Machine Learning

scientific article published on 27 July 2018

Earthquake Catalog-Based Machine Learning Identification of Laboratory Fault States and the Effects of Magnitude of Completeness

scholarly article by Nicholas Lubbers et al published 21 December 2018 in Geophysical Research Letters

Evaluating diffusion and the thermodynamic factor for binary ionic mixtures

scholarly article

Ex Machina Determination of Structural Correlation Functions

scientific article published on 05 May 2020

FitSNAP: Atomistic machine learning with LAMMPS

scientific article published in 2023

GLUE Code: A framework handling communication and interfaces between scales

scientific article published on 23 December 2022

GPU-Accelerated Semi-Empirical Born Oppenheimer Molecular Dynamics using PyTorch

scientific article published on 01 July 2020

Hierarchical modeling of molecular energies using a deep neural network

scientific article published on 01 June 2018

Inferring low-dimensional microstructure representations using convolutional neural networks

scientific article published on 9 November 2017

Less is more: Sampling chemical space with active learning

scientific article published on 01 June 2018

Machine Learning Predicts Laboratory Earthquakes

scholarly article by Bertrand Rouet-Leduc et al published 22 September 2017 in Geophysical Research Letters

Machine learning approaches for structural and thermodynamic properties of a Lennard-Jones fluid

scientific article published on 01 September 2020

Modeling and scale-bridging using machine learning: nanoconfinement effects in porous media

scientific article published on 07 August 2020

Semi-Empirical Shadow Molecular Dynamics: A PyTorch Implementation

The ANI-1ccx and ANI-1x Data Sets, Coupled-Cluster and Density Functional Theory Properties for Molecules

The ANI-1ccx and ANI-1x data sets, coupled-cluster and density functional theory properties for molecules

scientific article published on 01 May 2020

Training data selection for accuracy and transferability of interatomic potentials