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Nathan Ricke
Nathan Ricke
Senior Data Science Expert, Novartis Institute of Biomedical Research
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Cited by
Year
A pyridinic Fe-N4 macrocycle models the active sites in Fe/N-doped carbon electrocatalysts
T Marshall-Roth, NJ Libretto, AT Wrobel, KJ Anderton, ML Pegis, ...
Nature communications 11 (1), 5283, 2020
3262020
Mechanistic Evidence for Ligand-Centered Electrocatalytic Oxygen Reduction with the Conductive MOF Ni3(hexaiminotriphenylene)2
EM Miner, S Gul, ND Ricke, E Pastor, J Yano, VK Yachandra, ...
Acs Catalysis 7 (11), 7726-7731, 2017
1712017
σ-SCF: A direct energy-targeting method to mean-field excited states
HZ Ye, M Welborn, ND Ricke, T Van Voorhis
The Journal of chemical physics 147 (21), 2017
702017
Molecular-level insights into oxygen reduction catalysis by graphite-conjugated active sites
ND Ricke, AT Murray, JJ Shepherd, MG Welborn, T Fukushima, ...
ACS Catalysis 7 (11), 7680-7687, 2017
392017
Bootstrap embedding for molecules
HZ Ye, ND Ricke, HK Tran, T Van Voorhis
Journal of chemical theory and computation 15 (8), 4497-4506, 2019
342019
Performance of Bootstrap Embedding for long-range interactions and 2D systems
N Ricke, M Welborn, HZ Ye, T Van Voorhis
Molecular Physics 115 (17-18), 2242-2253, 2017
262017
Gas-phase ethylene polymerization by single-site Cr centers in a metal–organic framework
HD Park, RJ Comito, Z Wu, G Zhang, N Ricke, C Sun, T Van Voorhis, ...
ACS Catalysis 10 (6), 3864-3870, 2020
232020
Incremental embedding: A density matrix embedding scheme for molecules
HZ Ye, M Welborn, ND Ricke, T Van Voorhis
The Journal of Chemical Physics 149 (19), 2018
192018
N4 macrocycle models the active sites in Fe/N-doped carbon electrocatalysts, Nat. Commun. 11 (2020) 5283
T Marshall-Roth, NJ Libretto, AT Wrobel, KJ Anderton, ML Pegis, ...
6
Combined experimental and theoretical study of deprotonated ferrocene: Anion photoelectron spectroscopy and density functional calculations
N Ricke, SN Eustis, KH Bowen
International Journal of Mass Spectrometry 357, 63-65, 2014
52014
Machine Learning Identification of Active Sites in Graphite-Conjugated Catalysts
K Lodaya, ND Ricke, K Chen, T Van Voorhis
The Journal of Physical Chemistry C 127 (5), 2303-2313, 2023
32023
Machine learning dynamic correlation in chemical kinetics
CA Kim, ND Ricke, T Van Voorhis
The Journal of Chemical Physics 155 (14), 2021
32021
A Pyridinic Fe-N4 macrocycle effectively models the active sites in Fe/N-doped carbon electrocatalysts
T Marshall-Roth, NJ Libretto, AT Wrobel, K Anderton, ND Ricke, ...
22019
Sticking to (first) principles: quantum molecular dynamics and Bayesian probabilistic methods to simulate aquatic pollutant absorption spectra
K Trerayapiwat, N Ricke, P Cohen, A Poblete, H Rudel, SN Eustis
Environmental Science: Processes & Impacts 18 (8), 1068-1077, 2016
22016
Pyrazole compounds for organic light emitting diodes and other applications
S Saykin, V Campbell, S Duhovic, DL Wheeler, K Ryan, SJ Eldo, ...
US Patent App. 18/347,714, 2024
2024
Exploring Scaling Relations and Active Site Specificity of Graphite-Conjugated Catalysts Using Density Functional Theory
ND Ricke, K Chen, T Van Voorhis
The Journal of Physical Chemistry C 127 (28), 13582-13592, 2023
2023
Electronic control of transmittance of visible and near-infrared radiation
D Sheberla, S Duhovic, SJ Eldo, NDP Ricke, NY Masse, S Saykin, ...
US Patent App. 17/772,237, 2022
2022
Systems and methods for electrochromic molecules
D Sheberla, S Duhovic, SJ Eldo, NDP Ricke, NY Masse, S Saykin, ...
US Patent App. 17/724,782, 2022
2022
Quantum embedding for molecular systems
H Ye, N Ricke, H Tran, T Van Voorhis
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019
2019
Computational screening and machine learning for the design of heterogeneous oxygen reduction catalysts
N Ricke, K Chen, T Marshall-Roth, T Van Voorhis
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019
2019
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Articles 1–20