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Luke E. K. Achenie

Sandia National Laboratories

27H-index
142Paper Count
3.9KCitation Count
Published Papers 62
Publication Date
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Examining generalizability of AI models for catalysis
errJournal of Catalysis
IF6.5
err2025-06-07
err0
PREAI
errShih-Han Wang; Hongliang Xin; Luke E.K. Achenie; Kamal Choudhary
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Incorporating Mechanistic Insights into Structure-Property Modeling of Metal-Organic Frameworks for H 2 and CH 4 Adsorption: A CGCNN Approach
errINDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
IF3.9
err2025-02-10
err0
errOAAI
errAsiedu, Kwabena Koranteng; Achenie, Luke E. K.; Asamoah, Tracy; Arthur, Emmanuel Kwesi; Asiedu, Nana Yaw
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Origin of unique electronic structures of single-atom alloys unraveled by interpretable deep learning
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-10-22
err2
PREAI
errHuang, Yang; Wang, Shih-Han; Achenie, Luke E. K.; Choudhary, Kamal; Xin, Hongliang
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errSave
Non-Nucleoside Lycorine-Based Analogs as Potential DENV/ZIKV NS5 Dual Inhibitors: Structure-Based Virtual Screening and Chemoinformatic Analysis
errMETABOLITES
IF3.7
err2024-09-26
err0
errOAAI
errRodriguez-Ararat, Adrian Camilo; Hayek-Orduz, Yasser; Vasquez, Andres-Felipe; Sierra-Hurtado, Felipe; Villegas-Torres, Maria-Francisca; Caicedo-Burbano, Paola A.; Achenie, Luke E. K.; Barrios, Andres Fernando Gonzalez
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Unifying theory of electronic descriptors of metal surfaces upon perturbation
errPHYSICAL REVIEW B
IF3.7
err2024-09-16
err1
PREAI
errHuang, Yang; Wang, Shih-Han; Kamanuru, Mohith; Achenie, Luke E. K.; Kitchin, John R.; Xin, Hongliang
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Unraveling Reactivity Origin of Oxygen Reduction at High-Entropy Alloy Electrocatalysts with a Computational and Data-Driven Approach
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2024-06-29
err0
errOAAI
errHuang, Yang; Wang, Shih-Han; Wang, Xiangrui; Omidvar, Noushin; Achenie, Luke E. K.; Skrabalak, Sara E.; Xin, Hongliang
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RETRACTION: A Perovskite Solar Cell with Enhanced Light Stability and High Photovoltaic Conversion Efficiencies
errACS SUSTAINABLE CHEMISTRY & ENGINEERING
IF7.3
err2024-06-20
err0
errOAAI
errYang, Quan; Dettori, Riccardo; Achenie, Luke E. K.
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errSave
JARVIS-Leaderboard: a large scale benchmark of materials design methods
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2024-05-07
err6
errOAAI
errChoudhary, Kamal; Wines, Daniel; Li, Kangming; Garrity, Kevin F.; Gupta, Vishu; Romero, Aldo H.; Krogel, Jaron T.; Saritas, Kayahan; Fuhr, Addis; Ganesh, Panchapakesan; Kent, Paul R. C.; Yan, Keqiang; Lin, Yuchao; Ji, Shuiwang; Blaiszik, Ben; Reiser, Patrick; Friederich, Pascal; Agrawal, Ankit; Tiwary, Pratyush; Beyerle, Eric; Minch, Peter; Rhone, Trevor David; Takeuchi, Ichiro; Wexler, Robert B.; Mannodi-Kanakkithodi, Arun; Ertekin, Elif; Mishra, Avanish; Mathew, Nithin; Wood, Mitchell; Rohskopf, Andrew Dale; Hattrick-Simpers, Jason; Wang, Shih-Han; Achenie, Luke E. K.; Xin, Hongliang; Williams, Maureen; Biacchi, Adam J.; Tavazza, Francesca
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Digital twins for health: a scoping review
errNPJ DIGITAL MEDICINE
IF15.1
err2024-03-22
err37
errOAAI
errKatsoulakis, Evangelia; Wang, Qi; Wu, Huanmei; Shahriyari, Leili; Fletcher, Richard; Liu, Jinwei; Achenie, Luke; Liu, Hongfang; Jackson, Pamela; Xiao, Ying; Syeda-Mahmood, Tanveer; Tuli, Richard; Deng, Jun
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Interpretable design of Ir-free trimetallic electrocatalysts for ammonia oxidation with graph neural networks (vol 14, 792, 2023)
errNATURE COMMUNICATIONS
IF15.7
err2023-02-20
err2
errOAAI
errPillai, Hemanth Somarajan; Li, Yi; Wang, Shih-Han; Omidvar, Noushin; Mu, Qingmin; Achenie, Luke E. K.; Abild-Pedersen, Frank; Yang, Juan; Wu, Gang; Xin, Hongliang
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errSave
Interpretable design of Ir-free trimetallic electrocatalysts for ammonia oxidation with graph neural networks
errNATURE COMMUNICATIONS
IF15.7
err2023-02-11
err39
errOAAI
errPillai, Hemanth Somarajan; Li, Yi; Wang, Shih-Han; Omidvar, Noushin; Mu, Qingmin; Achenie, Luke E. K.; Abild-Pedersen, Frank; Yang, Juan; Wu, Gang; Xin, Hongliang
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errSave
A Model-Based Approach to Diagnosing Hypercalcemia
errINDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
IF3.9
err2023-01-23
err1
PREAI
errChristie, Christopher R.; Achenie, Luke E. K.; Ayeni, Oluwafemi B.
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Novel covalent and non-covalent complex-based pharmacophore models of SARS-CoV-2 main protease (Mpro) elucidated by microsecond MD simulations
errSCIENTIFIC REPORTS
IF3.9
err2022-08-18
err13
errOAAI
errHayek-Orduz, Yasser; Felipe Vasquez, Andres; Francisca Villegas-Torres, Maria; Caicedo, Paola A.; Achenie, Luke E. K.; Gonzalez Barrios, Andres Fernando
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Preliminary characterisation and valorisation of Ficus benjamina fruits for biofuel application
errBIOMASS CONVERSION AND BIOREFINERY
IF4.1
err2022-01-06
err5
PREAI
errEzealigo, Uchechukwu Stella; Ezealigo, Blessing Nonye; Plaza, Marta Gonzalez; Dim, Ebubechukwu Nnamdi; Kemausuor, Francis; Achenie, Luke Ekem Kweku; Onwualu, Azikiwe Peter
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RETRACTION: A Temperature-, pH- and Voltage-Responsive Nanogate with a Remarkably High Factor of Change in Ion Currents due to ON/OFF Switching (Retraction of Vol 24, Pg 18897, 2018)
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2021-12-22
err0
errOAAI
errDettori, Riccardo; Yang, Quan; Achenie, Luke E. K.; Schwarz, Roland D.
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errSave
Biomass Valorization to Bioenergy: Assessment of Biomass Residues' Availability and Bioenergy Potential in Nigeria
errSUSTAINABILITY
IF3.3
err2021-12-14
err10
errOAAI
errEzealigo, Uchechukwu Stella; Ezealigo, Blessing Nonye; Kemausuor, Francis; Achenie, Luke Ekem Kweku; Onwualu, Azikiwe Peter
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errSave
Infusing theory into deep learning for interpretable reactivity prediction
errNATURE COMMUNICATIONS
IF15.7
err2021-09-06
err67
errOAAI
errWang, Shih-Han; Pillai, Hemanth Somarajan; Wang, Siwen; Achenie, Luke E. K.; Xin, Hongliang
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errSave
An Adaptive Machine Learning Strategy for Accelerating Discovery of Perovskite Electrocatalysts
errACS CATALYSIS
IF13.1
err2020-03-19
err99
PREAI
errLi, Zheng; Achenie, Luke E. K.; Xin, Hongliang
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Modeling iontophoretic drug delivery in a microfluidic device
errLAB ON A CHIP
IF5.4
err2020-01-01
err15
errOAAI
errMoarefian, Maryam; Davalos, Rafael, V; Tafti, Danesh K.; Achenie, Luke E.; Jones, Caroline N.
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errSave
A Perovskite Solar Cell with Enhanced Light Stability and High Photovoltaic Conversion Efficiencies
errACS SUSTAINABLE CHEMISTRY & ENGINEERING
IF7.3
err2018-11-23
err9
PREAI
errYang, Quan; Dettori, Riccardo; Achenie, Luke E. K.
errShare
errSave

Research Directions

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Co-authors
Cooperation Journals
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Gang Wu (Gang Wu)
H-index: 125 · Papers: 521
S
Steven L. Suib
H-index: 109 · Papers: 951
F
Frank Abild‐Pedersen
H-index: 82 · Papers: 271
S
S. Ted Oyama
H-index: 79 · Papers: 373
H
Hongfang Liu
H-index: 79 · Papers: 608
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