Faculty

Institution

Unit

Venue

Luke Achenie

Professor

Virginia Tech

Affiliations

College of Engineering

Biomedical Engineering and Mechanics

Chemical Engineering

Luke Achenie is currently serving as a Biomedical Engineering And Mechanics Professor at Virginia Tech.

Honors

Create free account to unlock more features

Experiences

Create free account to unlock more features

Education

Create free account to unlock more features

Luke Achenie

Virginia Tech

Professor

You can click a keyword to filter the displayed items

chemical engineering engineering materials science computational chemistry industrial engineering environmental engineering machine learning design optimization materials engineering physical chemistry drug delivery mathematical programming molecular design engineering optimization solvent design molecular engineering bioresource technology applied microbiology industrial chemistry membrane technology molecular dynamics simulation refrigeration scientific data global optimization membrane science industrial catalysis process design chemical vapor deposition oral drug delivery composite poly material research developmental science scientific computing thermal engineering colorectal cancer cancer biology cancer genomics control engineering benchmark datasets material simulation nonlinear programming lab-on-a-chip polymer engineering chemical biotechnology manufacturing engineering gene expression profiling solvent effects large scale benchmark rigorous reproducibility operation stage blanket wash solvents penetrants transport flexibility analysis energy chemistry material chemistry stem cell research bone research chemisorption high-throughput screening mixture analysis tissue development embryonic development integrative biology developmental genetics cancer genetics robust control child mental health benchmark studies surface chemistry phytochemistry food processing machine-learning-augmented chemisorption model bimetallic catalysts optimal solvents solvent mixtures osteoblast lineage biostatistics mathematical bioscience biomedical informatics molecular modelling biological computation modeling and simulation biomedical modeling systems biology

Notable Scholarly Works

Notable Federal Grants

Collaborators

Examining Generalizability of AI Models for Catalysis. (2024)

Shih-Han WangHongliang XinLuke AchenieKamal Choudhary

catalysisartificial intelligenceai models

Explainable AI for Optimizing Oxygen Reduction on Pt Monolayer Core–Shell Catalysts. Electrochemical Science Advances (2024)

Noushin OmidvarShih‐Han WangYang HuangHemanth Somarajan PillaiAndy AthawaleSiwen WangLuke E. K. AchenieHongliang Xin

electrochemistrymaterials sciencecomputer scienceelectronic materialsengineeringintelligent optimizationadvanced energy materialcatalytic applicationscatalysiscatalytic processartificial intelligencecomputational optimizationcatalytic materialsengineering optimizationenergy minimizationoxygen reductionelectrochemical engineering

Jarvis-Leaderboard: A Large Scale Benchmark of Materials Design Methods. npj Computational Materials (2024)

Kamal ChoudharyDaniel WinesKangming LiKevin F. GarrityVishu GuptaAldo H. RomeroJaron T. KrogelKayahan SaritasAddis FuhrPanchapakesan GaneshPaul R. C. KentKeqiang YanYuchao LinShuiwang JiBen BlaiszikPatrick ReiserPascal FriederichAnkit AgrawalPratyush TiwaryEric BeyerlePeter MinchTrevor David RhoneIchiro TakeuchiRobert B. WexlerArun Mannodi-KanakkithodiElif ErtekinAvanish MishraNithin MathewMitchell WoodAndrew Dale RohskopfJason Hattrick-SimpersShih-Han WangLuke E. K. AchenieHongliang XinMaureen WilliamsAdam J. BiacchiFrancesca Tavazza

computational chemistrymaterial simulationcomputer sciencebenchmark studiesrigorous reproducibilityscientific datalarge scale benchmarkscientific computingdata sciencebenchmark datasetsartificial intelligencedesign automationcomputational materials science

Non-Nucleoside Lycorine-Based Analogs as Potential Denv/Zikv Ns5 Dual Inhibitors: Structure-Based Virtual Screening and Chemoinformatic Analysis. Metabolites (2024)

Adrián Camilo Rodríguez-AraratYasser Hayek-OrduzAndrés-Felipe VásquezFelipe Sierra-HurtadoMaría-Francisca Villegas-TorresPaola A. Caicedo-BurbanoLuke E. K. AchenieAndrés Fernando González Barrios

structure-based virtual screeningmedicinal chemistrydrug discoverymolecular dockingpeptide sciencechemoinformatic analysisstructural chemistrytherapeutic targetsenzyme inhibitionbiochemistrymolecular biologybiomolecular engineeringbioactive compoundsnatural product researchmedicinal researchnatural product biosynthesisnon-nucleoside lycorine-based analogsmetabolism

Origin of Unique Electronic Structures of Single-Atom Alloys Unraveled by Interpretable Deep Learning. The Journal of Chemical Physics (2024)

Yang HuangShih-Han WangLuke E. K. AchenieKamal ChoudharyHongliang Xin

materials sciencedeep learningsingle-atom alloysinterpretable deep learningunique electronic structureselectronic structure

Unifying Theory of Electronic Descriptors of Metal Surfaces Upon Perturbation. Physical review. B./Physical review. B (2024)

Yang HuangShih-Han WangMohith KamanuruLuke E. K. AchenieJohn R. KitchinHongliang Xin

physicscondensed matter physicsmetal surfacessurface characterizationelectronic descriptorsapplied physicssurface scienceinterface scienceinterface (matter)

Unraveling Reactivity Origin of Oxygen Reduction at High-Entropy Alloy Electrocatalysts With a Computational and Data-Driven Approach. The Journal of Physical Chemistry C (2024)

Yang HuangShih-Han WangXiangrui WangNoushin OmidvarLuke E. K. AchenieSara E. SkrabalakHongliang Xin

computational chemistrymaterials scienceelectrochemistryhigh-entropy alloy electrocatalystsapplied physicsphysical chemistryoxygen reduction

A Model-Based Approach to Diagnosing Hypercalcemia. Industrial & Engineering Chemistry Research (2023)

Christopher R. ChristieLuke E. K. AchenieOluwafemi B. Ayeni

industrial engineeringhealth sciencesengineeringindustrial designindustrial chemistrysystems engineeringbiomedical modelingindustrial catalysisdiagnosiscomputational medicine

Author Correction: Interpretable Design of Ir-Free Trimetallic Electrocatalysts for Ammonia Oxidation With Graph Neural Networks. Nature Communications (2023)

Hemanth Somarajan PillaiYi LiShih-Han WangNoushin OmidvarQingmin MuLuke E. K. AchenieFrank Abild-PedersenJuan YangGang WuHongliang Xin

electrochemistrymaterials sciencecomputational chemistrydeep learningenvironmental engineeringchemical engineeringammonia oxidationmachine learningir-free trimetallic electrocatalystscatalytic processauthor correctioninterpretable designadvanced oxidation processin-situ conversionelectrochemical engineering

Large Scale Benchmark of Materials Design Methods. arXiv (Cornell University) (2023)

Kamal ChoudharyDaniel WinesKangming LiKevin F. GarrityVishu GuptaAldo H. RomeroJaron T. KrogelKayahan SaritasAddis FuhrPanchapakesan GaneshPaul R. C. KentKeqiang YanYuchao LinShuiwang JiBen BlaiszikPatrick ReiserPascal FriederichAnkit AgrawalPratyush TiwaryEric BeyerlePeter MinchTrevor David RhoneIchiro TakeuchiRobert B. WexlerArun Mannodi-KanakkithodiElif ErtekinAvanish MishraNithin MathewSterling G. BairdMitchell WoodAndrew Dale RohskopfJason Hattrick-SimpersShih-Han WangLuke E. K. AchenieHongliang XinMaureen WilliamsAdam J. BiacchiFrancesca Tavazza

characterization (materials science)materials sciencematerial simulationrigorous reproducibilityscientific datamaterials engineeringlarge scale benchmarkmaterial modelingmaterial researchapplied physicsbenchmark datasetsartificial intelligencecomputational materials science

1
2
3
4
5
12
10 / page

Luke Achenie

Professor

Virginia Tech

Affiliations

College of Engineering

Biomedical Engineering and Mechanics

Chemical Engineering

Luke Achenie is currently serving as a Biomedical Engineering And Mechanics Professor at Virginia Tech.

Honors

Create free account to unlock more features

Experiences

Create free account to unlock more features

Education

Create free account to unlock more features

Luke Achenie

Virginia Tech

Professor

You can click a keyword to filter the displayed items

Notable Scholarly Works

Notable Federal Grants

Collaborators

Examining Generalizability of AI Models for Catalysis. (2024)

Shih-Han WangHongliang XinLuke AchenieKamal Choudhary

catalysisartificial intelligenceai models

Explainable AI for Optimizing Oxygen Reduction on Pt Monolayer Core–Shell Catalysts. Electrochemical Science Advances (2024)

Noushin OmidvarShih‐Han WangYang HuangHemanth Somarajan PillaiAndy AthawaleSiwen WangLuke E. K. AchenieHongliang Xin

Jarvis-Leaderboard: A Large Scale Benchmark of Materials Design Methods. npj Computational Materials (2024)

Non-Nucleoside Lycorine-Based Analogs as Potential Denv/Zikv Ns5 Dual Inhibitors: Structure-Based Virtual Screening and Chemoinformatic Analysis. Metabolites (2024)

Origin of Unique Electronic Structures of Single-Atom Alloys Unraveled by Interpretable Deep Learning. The Journal of Chemical Physics (2024)

Yang HuangShih-Han WangLuke E. K. AchenieKamal ChoudharyHongliang Xin

materials sciencedeep learningsingle-atom alloysinterpretable deep learningunique electronic structureselectronic structure

Unifying Theory of Electronic Descriptors of Metal Surfaces Upon Perturbation. Physical review. B./Physical review. B (2024)

Yang HuangShih-Han WangMohith KamanuruLuke E. K. AchenieJohn R. KitchinHongliang Xin

physicscondensed matter physicsmetal surfacessurface characterizationelectronic descriptorsapplied physicssurface scienceinterface scienceinterface (matter)

Unraveling Reactivity Origin of Oxygen Reduction at High-Entropy Alloy Electrocatalysts With a Computational and Data-Driven Approach. The Journal of Physical Chemistry C (2024)

Yang HuangShih-Han WangXiangrui WangNoushin OmidvarLuke E. K. AchenieSara E. SkrabalakHongliang Xin

computational chemistrymaterials scienceelectrochemistryhigh-entropy alloy electrocatalystsapplied physicsphysical chemistryoxygen reduction

A Model-Based Approach to Diagnosing Hypercalcemia. Industrial & Engineering Chemistry Research (2023)

Christopher R. ChristieLuke E. K. AchenieOluwafemi B. Ayeni

industrial engineeringhealth sciencesengineeringindustrial designindustrial chemistrysystems engineeringbiomedical modelingindustrial catalysisdiagnosiscomputational medicine

Author Correction: Interpretable Design of Ir-Free Trimetallic Electrocatalysts for Ammonia Oxidation With Graph Neural Networks. Nature Communications (2023)

Hemanth Somarajan PillaiYi LiShih-Han WangNoushin OmidvarQingmin MuLuke E. K. AchenieFrank Abild-PedersenJuan YangGang WuHongliang Xin

Large Scale Benchmark of Materials Design Methods. arXiv (Cornell University) (2023)

Kamal ChoudharyDaniel WinesKangming LiKevin F. GarrityVishu GuptaAldo H. RomeroJaron T. KrogelKayahan SaritasAddis FuhrPanchapakesan GaneshPaul R. C. KentKeqiang YanYuchao LinShuiwang JiBen BlaiszikPatrick ReiserPascal FriederichAnkit AgrawalPratyush TiwaryEric BeyerlePeter MinchTrevor David RhoneIchiro TakeuchiRobert B. WexlerArun Mannodi-KanakkithodiElif ErtekinAvanish MishraNithin MathewSterling G. BairdMitchell WoodAndrew Dale RohskopfJason Hattrick-SimpersShih-Han WangLuke E. K. AchenieHongliang XinMaureen WilliamsAdam J. BiacchiFrancesca Tavazza

1
2
3
4
5
12
10 / page

Similar Faculty Members

Joseph Sang-Il Kwon

Institution

Texas A&M University

chemical engineering

engineering

Doraiswami Ramkrishna

Institution

Purdue University

process engineering

biological computation

Martha Grover

Institution

Georgia Institute of Technology

process optimization

industrial engineering

Zoltan Nagy

Institution

Purdue University

industrial engineering

process engineering

Matthew Realff

Institution

Georgia Institute of Technology

biomass conversion

environmental engineering

Stratos Pistikopoulos

Institution

Texas A&M University

process operation

environmental engineering

Victor M. Zavala

Institution

University of Wisconsin–Madison

water-energy-food nexus

environmental engineering

Prodromos Daoutidis

Institution

University of Minnesota

industrial informatics

systems modeling

Mahmoud El-Halwagi

Institution

Texas A&M University

chemical engineering

engineering

Amir Barati Farimani

Institution

Carnegie Mellon University

technological forecasting

smart manufacturing

Similar Faculty Members

Joseph Sang-Il Kwon

Institution

Texas A&M University

chemical engineering

engineering

Doraiswami Ramkrishna

Institution

Purdue University

process engineering

biological computation

Martha Grover

Institution

Georgia Institute of Technology

process optimization

industrial engineering

Zoltan Nagy

Institution

Purdue University

industrial engineering

process engineering

Matthew Realff

Institution

Georgia Institute of Technology

biomass conversion

environmental engineering

Stratos Pistikopoulos

Institution

Texas A&M University

process operation

environmental engineering

Victor M. Zavala

Institution

University of Wisconsin–Madison

water-energy-food nexus

environmental engineering

Prodromos Daoutidis

Institution

University of Minnesota

industrial informatics

systems modeling

Mahmoud El-Halwagi

Institution

Texas A&M University

chemical engineering

engineering

Amir Barati Farimani

Institution

Carnegie Mellon University

technological forecasting

smart manufacturing