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M

Michael G. Taylor

los alamos national laboratory

44H-index
240Paper Count
7.4KCitation Count
Published Papers 38
Publication Date
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Meta-learning linear models for molecular property prediction
errDigital Discovery
IF5.6
err2026-05-14
err0
errOAAI
errYulia Pimonova; Michael G. Taylor; Alice Allen; Ping Yang; Nicholas Lubbers
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Augmenting Large Language Models for Automated Discovery of F-Element Extractants
errJournal of the American Chemical Society
IF15.6
err2026-01-28
err0
PREAI
errBaosen Zhang; Thomas J. Summers; Logan J. Augustine; Michael G. Taylor; Andreas Geist; Rebecca Li; Enrique R. Batista; Danny Perez; Ping Yang; Joshua Schrier
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errSave
Application of quaternions to obtain analytic solutions to systems of polarization components
errOptics Communications
IF2.5
err2026-01-01
err0
errOAAI
errTaylor, Michael G.
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errSave
Hierarchical Attention Graph Learning with LLMs Enhancement for Molecular Solubility Prediction
errDigital Discovery
IF5.6
err2025-12-16
err0
errOAAI
errYangxin Fan; Yinghui Wu; Roger French; Danny Perez; Michael Taylor; Ping Yang
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errSave
Creation of the Separation Archive for Elements (SAFE) Database
errSOLVENT EXTRACTION AND ION EXCHANGE
IF2.1
err2025-09-01
err0
PREAI
errLeite, Leonardo da Silva Garcia; Zhang, Baosen; Acar, Zafer; Elowitt, Jackson; Augustine, Logan J.; Clark, Aurora E.; Karamalis, Victor; Perez, Danny; Schrier, Joshua; Taylor, Michael; Yang, Ping
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MLTB: Enhancing Transferability and Extensibility of Density Functional Tight-Binding Theory with Many-body Interaction Corrections
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-01-29
err0
errOAAI
errBurrill, Daniel J.; Liu, Chang; Taylor, Michael G.; Cawkwell, Marc J.; Perez, Danny; Batista, Enrique R.; Lubbers, Nicholas; Yang, Ping
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errSave
Precursor reaction pathway leading to BiFeO3 formation: insights from text-mining and chemical reaction network analyses
errDIGITAL DISCOVERY
IF5.6
err2025-01-01
err0
errOAAI
errBaibakova, Viktoriia; Cruse, Kevin; Taylor, Michael G.; Sutter-Fella, Carolin M.; Ceder, Gerbrand; Jain, Anubhav; Blau, Samuel M.
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errSave
On the Importance of Configuration Search to the Predictivity of Lanthanide Selectivity
errJACS AU
IF8.7
err2024-11-18
err1
errOAAI
errSummers, Thomas J.; Taylor, Michael G.; Augustine, Logan J.; Janssen, Jan; Perez, Danny; Batista, Enrique R.; Yang, Ping
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errSave
Heterocyclic Modification Leading to Luminescent 0D Metal Organochalcogenide with Stable X-ray Scintillating Properties
errCHEMISTRY OF MATERIALS
IF7
err2024-05-07
err5
PREAI
errKhamlue, Rattapon; Sakurada, Tomoaki; Cho, Yeongsu; Lee, Woo Seok; Leangtanom, Pimpan; Taylor, Michael G.; Naewthong, Worakit; Sripetch, Pongsakun; Na Ranong, Busayakorn; Autila, Tossawat; Rungseesumran, Thiti; Kaewkhao, Jakrapong; Sudyoadsuk, Taweesak; Kopwitthaya, Atcha; Mueller, Peter; Promarak, Vinich; Kulik, Heather J.; Tisdale, William A.; Paritmongkol, Watcharaphol
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errSave
Linear graphlet models for accurate and interpretable cheminformatics
errDIGITAL DISCOVERY
IF5.6
err2024-01-01
err0
errOAAI
errTynes, Michael; Taylor, Michael G.; Janssen, Jan; Burrill, Daniel J.; Perez, Danny; Yang, Ping; Lubbers, Nicholas
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errSave
Architector for high-throughput cross-periodic table 3D complex building (vol 14, 2786, 2023)
errNATURE COMMUNICATIONS
IF15.7
err2023-10-04
err2
errOAAI
errTaylor, Michael G.; Burrill, Daniel J.; Janssen, Jan; Batista, Enrique R.; Perez, Danny; Yang, Ping
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errSave
Assessing the performance of approximate density functional theory on 95 experimentally characterized Fe(II) spin crossover complexes
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-07-11
err13
errOAAI
errVennelakanti, Vyshnavi; Taylor, Michael G.; Nandy, Aditya; Duan, Chenru; Kulik, Heather J.
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errSave
Architector for high-throughput cross-periodic table 3D complex building
errNATURE COMMUNICATIONS
IF15.7
err2023-05-15
err15
errOAAI
errTaylor, Michael G.; Burrill, Daniel J.; Janssen, Jan; Batista, Enrique R.; Perez, Danny; Yang, Ping
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errSave
Ligand additivity relationships enable efficient exploration of transition metal chemical space
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-11-14
err12
errOAAI
errArunachalam, Naveen; Gugler, Stefan; Taylor, Michael G.; Duan, Chenru; Nandy, Aditya; Janet, Jon Paul; Meyer, Ralf; Oldenstaedt, Jonas; Chu, Daniel B. K.; Kulik, Heather J.
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errSave
Exploiting Ligand Additivity for Transferable Machine Learning of Multireference Character across Known Transition Metal Complex Ligands
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-07-14
err8
errOAAI
errDuan, Chenru; Ladera, Adriana J.; Liu, Julian C. -L.; Taylor, Michael G.; Ariyarathna, Isuru R.; Kulik, Heather J.
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errSave
Molecular orbital projectors in non-empirical jmDFT recover exact conditions in transition-metal chemistry
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-05-11
err6
errOAAI
errBajaj, Akash; Duan, Chenru; Nandy, Aditya; Taylor, Michael G.; Kulik, Heather J.
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errSave
Large-Scale Screening Reveals That Geometric Structure Matters More Than Electronic Structure in the Bioinspired Catalyst Design of Formate Dehydrogenase Mimics
errACS CATALYSIS
IF13.1
err2021-12-16
err9
PREAI
errLiu, Mingjie; Nazemi, Azadeh; Taylor, Michael G.; Nandy, Aditya; Duan, Chenru; Steeves, Adam H.; Kulik, Heather J.
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errSave
Usability and value of a digital learning resource in nursing education across European countries: a cross-sectional exploration
errBMC NURSING
IF3.9
err2021-09-06
err7
errOAAI
errUrstad, Kristin Hjorthaug; Navarro-Illana, Esther; Oftedal, Bjorg; Whittingham, Katharine; Alamar, Santiago; Windle, Richard; Lokken, Atle; Taylor, Michael; Larsen, Marie Hamilton; Narayasanamy, Melanie; Sancho-Pelluz, Javier; Navarro-Illana, Pedro; Wharrad, Heather
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Mapping the Origins of Surface- and Chemistry-Dependent Doping Trends in III-V Quantum Dots with Density Functional Theory
errCHEMISTRY OF MATERIALS
IF7
err2021-09-02
err8
PREAI
errTaylor, Michael G.; Kulik, Heather J.
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errSave
Solvent manipulation of the pre-reduction metal-ligand complex and particle-ligand binding for controlled synthesis of Pd nanoparticles
errNANOSCALE
IF5.1
err2021-01-01
err22
errOAAI
errLi, Wenhui; Taylor, Michael G.; Bayerl, Dylan; Mozaffari, Saeed; Dixit, Mudit; Ivanov, Sergei; Seifert, Soenke; Lee, Byeongdu; Shanaiah, Narasimhamurthy; Lu, Yubing; Kovarik, Libor; Mpourmpakis, Giannis; Karim, Ayman M.
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Research Directions

No research directions
Co-authors
Cooperation Journals
G
Gerbrand Ceder
H-index: 166 · Papers: 1.1K
R
Rongchao Jin
H-index: 128 · Papers: 509
H
Howard C. Thomas
H-index: 81 · Papers: 490
B
Byeongdu Lee
H-index: 75 · Papers: 445
L
Libor Kovařík
H-index: 73 · Papers: 879
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