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J

Jacob M. Clary

National Renewable Energy Laboratory

10H指数
38论文数
526被引数
收录论文 19
发表时间
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Δ-Learning of High-Fidelity Electronic Structure Using Graph Neural Networks with Modified Node-Level Features使用具有修改节点级特征的图神经网络进行高保真电子结构的学习
errACS Materials Letters
IF8.7
err2025-11-04
err0
PREAI
errNima Karimitari; Teerachote Pakornchote; Abdulaziz W. Alherz; Jacob M. Clary; Cooper Tezak; Sourin Dey; Jianjun Hu; Derek Vigil-Fowler; Ravishankar Sundararaman; Charles B. Musgrave; Christopher Sutton
err分享
err收藏
Correction: Atomate2: modular workflows for materials science更正：Atomate2：材料科学的模块化工作流
errDigital Discovery
IF5.6
err2025-08-19
err0
errOAAI
errAlex M. Ganose; Hrushikesh Sahasrabuddhe; Mark Asta; Kevin Beck; Tathagata Biswas; Alexander Bonkowski; Joana Bustamante; Xin Chen; Yuan Chiang; Daryl C. Chrzan; Jacob Clary; Orion A. Cohen; Christina Ertural; Max C. Gallant; Janine George; Sophie Gerits; Rhys E. A. Goodall; Rishabh D. Guha; Geoffroy Hautier; Matthew Horton; T. J. Inizan; Aaron D. Kaplan; Ryan S. Kingsbury; Matthew C. Kuner; Bryant Li; Xavier Linn; Matthew J. McDermott; Rohith Srinivaas Mohanakrishnan; Aakash A. Naik; Jeffrey B. Neaton; Shehan M. Parmar; Kristin A. Persson; Guido Petretto; Thomas A. R. Purcell; Francesco Ricci; Benjamin Rich; Janosh Riebesell; Gian-Marco Rignanese; Andrew S. Rosen; Matthias Scheffler; Jonathan Schmidt; Jimmy-Xuan Shen; Andrei Sobolev; Ravishankar Sundararaman; Cooper Tezak; Victor Trinquet; Joel B. Varley; Derek Vigil-Fowler; Duo Wang; David Waroquiers; Mingjian Wen; Han Yang; Hui Zheng; Jiongzhi Zheng; Zhuoying Zhu; Anubhav Jain
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Impact of processing humidity on ionomer film structure and performance in hydroxide exchange membrane electrolyzers加工湿度对阴离子交换膜电解槽中离子聚合物膜结构和性能的影响
errCommunications Materials
IF9.6
err2025-08-01
err0
errOAAI
errAbigayle Polsky; Jacob Clary; Alexandra M. Oliveira; Teng Wang; Derek Vigil-Fowler; Lan Wang; Yushan Yan
err分享
err收藏
Atomate2: modular workflows for materials scienceAtomate2：材料科学中的模块化工作流
errDigital Discovery
IF5.6
err2025-07-26
err0
errOAAI
errAlex M. Ganose; Hrushikesh Sahasrabuddhe; Mark Asta; Kevin Beck; Tathagata Biswas; Alexander Bonkowski; Joana Bustamante; Xin Chen; Yuan Chiang; Daryl C. Chrzan; Jacob Clary; Orion A. Cohen; Christina Ertural; Max C. Gallant; Janine George; Sophie Gerits; Rhys E. A. Goodall; Rishabh D. Guha; Geoffroy Hautier; Matthew Horton; T. J. Inizan; Aaron D. Kaplan; Ryan S. Kingsbury; Matthew C. Kuner; Bryant Li; Xavier Linn; Matthew J. McDermott; Rohith Srinivaas Mohanakrishnan; Aakash N. Naik; Jeffrey B. Neaton; Shehan M. Parmar; Kristin A. Persson; Guido Petretto; Thomas A. R. Purcell; Francesco Ricci; Benjamin Rich; Janosh Riebesell; Gian-Marco Rignanese; Andrew S. Rosen; Matthias Scheffler; Jonathan Schmidt; Jimmy-Xuan Shen; Andrei Sobolev; Ravishankar Sundararaman; Cooper Tezak; Victor Trinquet; Joel B. Varley; Derek Vigil-Fowler; Duo Wang; David Waroquiers; Mingjian Wen; Han Yang; Hui Zheng; Jiongzhi Zheng; Zhuoying Zhu; Anubhav Jain
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Static Subspace Approximation for Random Phase Approximation Correlation Energies: Applications to Materials for Catalysis and Electrochemistry随机相位近似相关能的静态子空间近似：在催化和电化学材料中的应用
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-04-14
err0
PREAI
errClary, Jacob M.; Hull, Olivia A.; Del Ben, Mauro; Vigil-Fowler, Derek
err分享
err收藏
Effect of stoichiometry and hydration level on water domain size and transport in poly(aryl piperidinium) alkaline anion-exchange membranes化学计量比和含水量对聚(芳基哌啶鎓)碱性阴离子交换膜中水区域尺寸和传输的影响
errJOURNAL OF MEMBRANE SCIENCE
IF9
err2025-02-01
err1
PREAI
errClary, Jacob M.; Wang, Lan; Yan, Yushan; Frischknecht, Amalie L.
err分享
err收藏
Static Subspace Approximation for Random Phase Approximation Correlation Energies: Implementation and Performance ( vol 29, pg 8237, 2024)
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-01-17
err0
PREAI
errWeinberg, Daniel; Hull, Olivia A.; Clary, Jacob M.; Sundararaman, Ravishankar; Vigil-Fowler, Derek; Del Ben, Mauro
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BEAST DB: Grand-Canonical Database of Electrocatalyst Properties
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2024-11-18
err3
errOAAI
errTezak, Cooper; Clary, Jacob; Gerits, Sophie; Quinton, Joshua; Rich, Benjamin; Singstock, Nicholas; Alherz, Abdulaziz; Aubry, Taylor; Clark, Struan; Hurst, Rachel; Del Ben, Mauro; Sutton, Christopher; Sundararaman, Ravishankar; Musgrave, Charles; Vigil-Fowler, Derek
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Static Subspace Approximation for Random Phase Approximation Correlation Energies: Implementation and Performance
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-09-10
err0
PREAI
errWeinberg, Daniel; Hull, Olivia A.; Clary, Jacob M.; Sundararaman, Ravishankar; Vigil-Fowler, Derek; Del Ben, Mauro
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Insights into Electrochemical CO2 Reduction on Metallic and Oxidized Tin Using Grand-Canonical DFT and In Situ ATR-SEIRA Spectroscopy使用大正则DFT和原位atr-seira光谱对金属和氧化锡的电化学CO2还原的见解
errACS CATALYSIS
IF13.1
err2024-05-14
err4
errOAAI
errWhittaker, Todd N.; Fishler, Yuval; Clary, Jacob M.; Brimley, Paige; Holewinski, Adam; Musgrave, Charles B.; Farberow, Carrie A.; Smith, Wilson A.; Vigil-Fowler, Derek
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Activating Nitrogen for Electrochemical Ammonia Synthesis via an Electrified Transition-Metal Dichalcogenide Catalyst
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2024-04-23
err1
errOAAI
errAubry, Taylor J.; Clary, Jacob M.; Miller, Elisa M.; Vigil-Fowler, Derek; van de Lagemaat, Jao
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err收藏
Accurate Prediction of HSE06 Band Structures for a Diverse Set of Materials Using Δ-Learning
errCHEMISTRY OF MATERIALS
IF7
err2023-10-16
err6
PREAI
errAdhikari, Santosh; Clary, Jacob; Sundararaman, Ravishankar; Musgrave, Charles; Vigil-Fowler, Derek; Sutton, Christopher
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Adsorption Site Screening on a PGM-Free Electrocatalyst: Insights from Grand Canonical Density Functional Theory无PGM电催化剂上的吸附位点筛选: 来自大正则密度泛函理论的见解
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2023-08-10
err5
errOAAI
errClary, Jacob M.; Vigil-Fowler, Derek
err分享
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Redox Defect Thermochemistry of FeAl2O4 Hercynite in Water Splitting from First-Principles Methods
errCHEMISTRY OF MATERIALS
IF7
err2022-01-10
err18
errOAAI
errMillican, Samantha L.; Clary, Jacob M.; Musgrave, Charles B.; Lany, Stephan
err分享
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Computationally Predicted High-Throughput Free-Energy Phase Diagrams for the Discovery of Solid-State Hydrogen Storage Reactions用于发现固态储氢反应的计算预测的高通量自由能相图
errACS APPLIED MATERIALS & INTERFACES
IF8.2
err2020-10-19
err7
errOAAI
errClary, Jacob M.; Holder, Aaron M.; Musgrave, Charles B.
err分享
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Inorganic Halide Double Perovskites with Optoelectronic Properties Modulated by Sublattice Mixing (vol 142, pg 5135, 2020)
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2020-09-22
err0
PREAI
errBartel, Christopher J.; Clary, Jacob M.; Sutton, Christopher; Vigil-Fowler, Derek; Goldsmith, Bryan R.; Holder, Aaron M.; Musgrave, Charles B.
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err收藏
Inorganic Halide Double Perovskites with Optoelectronic Properties Modulated by Sublattice Mixing
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2020-02-24
err82
errOAAI
errBartel, Christopher J.; Clary, Jacob M.; Sutton, Christopher; Vigil-Fowler, Derek; Goldsmith, Bryan R.; Holder, Aaron M.; Musgrave, Charles B.
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err收藏
A three-dimensional spheroidal cancer model based on PEG-fibrinogen hydrogel microspheres
errBIOMATERIALS
IF12.9
err2017-01-01
err138
PREAI
errPradhan, Shantanu; Clary, Jacob M.; Seliktar, Dror; Lipke, Elizabeth A.
err分享
err收藏
Polymeric Biomaterials for In Vitro Cancer Tissue Engineering and Drug Testing Applications
errTISSUE ENGINEERING PART B-REVIEWS
IF4.6
err2016-12-01
err64
PREAI
errPradhan, Shantanu; Hassani, Iman; Clary, Jacob M.; Lipke, Elizabeth A.
err分享
err收藏

研究方向

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