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Luke E. K. Achenie

Sandia National Laboratories

27H指数
142论文数
3.9K被引数
收录论文 62
发表时间
Examining generalizability of AI models for catalysis考察用于催化领域的AI模型泛化能力
err2025-06-07
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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
err2025-02-10
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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
err2024-10-22
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PREAI
errHuang, Yang; Wang, Shih-Han; Achenie, Luke E. K.; Choudhary, Kamal; Xin, Hongliang
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Non-Nucleoside Lycorine-Based Analogs as Potential DENV/ZIKV NS5 Dual Inhibitors: Structure-Based Virtual Screening and Chemoinformatic Analysis基于非核苷石蒜碱的类似物作为潜在的DENV/ZIKV NS5双重抑制剂: 基于结构的虚拟筛选和化学信息学分析
err2024-09-26
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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
err2024-09-16
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PREAI
errHuang, Yang; Wang, Shih-Han; Kamanuru, Mohith; Achenie, Luke E. K.; Kitchin, John R.; Xin, Hongliang
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JARVIS-Leaderboard: a large scale benchmark of materials design methods
err2024-05-07
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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健康的数字双胞胎: 范围审查
err2024-03-22
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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)
err2023-02-20
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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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Interpretable design of Ir-free trimetallic electrocatalysts for ammonia oxidation with graph neural networks图型神经网络用于氨氧化的无Ir三金属电催化剂的可解释设计
err2023-02-11
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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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A Model-Based Approach to Diagnosing Hypercalcemia
err2023-01-23
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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
err2022-08-18
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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
err2022-01-06
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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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Biomass Valorization to Bioenergy: Assessment of Biomass Residues' Availability and Bioenergy Potential in Nigeria
err2021-12-14
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errOAAI
errEzealigo, Uchechukwu Stella; Ezealigo, Blessing Nonye; Kemausuor, Francis; Achenie, Luke Ekem Kweku; Onwualu, Azikiwe Peter
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Infusing theory into deep learning for interpretable reactivity prediction
err2021-09-06
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errOAAI
errWang, Shih-Han; Pillai, Hemanth Somarajan; Wang, Siwen; Achenie, Luke E. K.; Xin, Hongliang
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Modeling iontophoretic drug delivery in a microfluidic device
err2020-01-01
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errOAAI
errMoarefian, Maryam; Davalos, Rafael, V; Tafti, Danesh K.; Achenie, Luke E.; Jones, Caroline N.
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