Pairwise difference regression: a machine learning meta-algorithm for improved prediction and uncertainty quantification in chemical search M Tynes, W Gao, DJ Burrill, ER Batista, D Perez, P Yang, N Lubbers Journal of chemical information and modeling 61 (8), 3846-3857, 2021 | 32 | 2021 |
Comparison of electron transport calculations in warm dense matter using the Ziman formula DJ Burrill, DV Feinblum, MRJ Charest, CE Starrett High energy density physics 19, 1-10, 2016 | 25 | 2016 |
Architector for high-throughput cross-periodic table 3D complex building MG Taylor, DJ Burrill, J Janssen, ER Batista, D Perez, P Yang nature communications 14 (1), 2786, 2023 | 13 | 2023 |
Polymerization of silyl ketenes using alkoxide initiators: a combined computational and experimental study Y Xiang, DJ Burrill, KK Bullard, BJ Albrecht, LE Tragesser, J McCaffrey, ... Polymer Chemistry 8 (35), 5381-5387, 2017 | 11 | 2017 |
Buckybowls as gas adsorbents: binding of gaseous pollutants and their electric-field induced release DJ Burrill, DS Lambrecht Physical Chemistry Chemical Physics 22 (39), 22699-22710, 2020 | 4 | 2020 |
Linear Graphlet Models for Accurate and Interpretable Cheminformatics M Tynes, MG Taylor, J Janssen, DJ Burrill, D Perez, P Yang, N Lubbers | 1 | 2024 |
Ab Initio Investigations of Gas Adsorption on Buckybowls DJ Burrill University of Pittsburgh, 2020 | 1 | 2020 |
MLTB: Enhancing Transferability and Extensibility of Density Functional Tight Binding Theory with Multi-body Interaction Corrections D Burrill, C Liu, M Taylor, M Cawkwell, N Lubbers, D Perez, E Batista, ... | | 2024 |
Architector P Yang, D Burrill, E Batista, D Perez, J Janssen, M Taylor Los Alamos National Laboratory (LANL), Los Alamos, NM (United States), 2022 | | 2022 |
CeIV stabilization in tris-chelate homoleptic complexes: Building blocks for probing energy-degeneracy-driven covalency in f-elements through odd oxidation states FA Pereiro, S Galley, MR Antonio, DJ Burrill, P Yang, E Batista, S Kozimor, ... Transactions of the American Nuclear Society 127 (1), 363-364, 2022 | | 2022 |
Electron conductivity in warm and hot dense matter C Starrett, M Charest, D Feinblum, D Burrill APS Division of Plasma Physics Meeting Abstracts 2015, TO8. 009, 2015 | | 2015 |
2015 Final Reports from the Los Alamos National Laboratory Computational Physics Student Summer Workshop SR Runnels, W Caldwell, BJ Brown, C Pederson, J Brown, D Burrill, ... Los Alamos National Laboratory (LANL), Los Alamos, NM (United States), 2015 | | 2015 |
Electron transport calculations in warm dense matter using scattering cross sections DJ Burrill, D Feinblum, MRJ Charest, CE Starrett arXiv preprint arXiv:1509.04194, 2015 | | 2015 |
Simulating Warm Dense Matter using Density Functional Theory DV Feinblum, D Burrill, CE Starrett, MRJ Charest Los Alamos National Lab.(LANL), Los Alamos, NM (United States), 2015 | | 2015 |
Density Functional Theory Study of Dilute Transition Metal Phthalocyanines D Burrill | | 2015 |