Nicholas Lubbers
Los Alamos National Laboratory(US)Statistical Service(CY)
Publications by Year
Research Areas
Machine Learning in Materials Science, Computational Drug Discovery Methods, Protein Structure and Dynamics, Enhanced Oil Recovery Techniques, Various Chemistry Research Topics
Most-Cited Works
- → Less is more: Sampling chemical space with active learning(2018)823 cited
- → Approaching coupled cluster accuracy with a general-purpose neural network potential through transfer learning(2019)644 cited
- → The effective field theory of dark matter direct detection(2013)548 cited
- → The ANI-1ccx and ANI-1x data sets, coupled-cluster and density functional theory properties for molecules(2020)267 cited
- → Extending machine learning beyond interatomic potentials for predicting molecular properties(2022)145 cited
- → Discovering a Transferable Charge Assignment Model Using Machine Learning(2018)141 cited
- → Inferring low-dimensional microstructure representations using convolutional neural networks(2017)139 cited
- → Transferable Dynamic Molecular Charge Assignment Using Deep Neural Networks(2018)133 cited
- → Uncertainty-driven dynamics for active learning of interatomic potentials(2023)127 cited