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Heather Kulik

Massachusetts Institute of Technology (MIT) - Department of Chemical Engineering

SCHOLARLY PAPERS

5

DOWNLOADS

222

TOTAL CITATIONS

0

Scholarly Papers (5)

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1.

Computational Exploration of Codoped Fe and Ru Single-Atom Catalysts for the Oxygen Reduction Reaction

Number of pages: 27 Posted: 06 Mar 2025
Haojun Jia, Chenru Duan, Gianmarco G. Terrones, Ilia Kevlishvili and Heather Kulik
affiliation not provided to SSRN, affiliation not provided to SSRN, Massachusetts Institute of Technology (MIT) - Department of Chemical Engineering, Massachusetts Institute of Technology (MIT) - Department of Chemical Engineering and Massachusetts Institute of Technology (MIT) - Department of Chemical Engineering
Downloads 57 (989,921)

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Single atom catalysts, Density Functional Theory, Oxygen reduction reaction, Machine learning

2.

Large-Scale Comparison of Fe and Ru Polyolefin C–H Activation Catalysts

Number of pages: 42 Posted: 06 Dec 2023
Husain Adamji, Ilia Kevlishvili, Aditya Nandy, Yuriy Roman-Leshkov and Heather Kulik
affiliation not provided to SSRN, Massachusetts Institute of Technology (MIT) - Department of Chemical Engineering, affiliation not provided to SSRN, affiliation not provided to SSRN and Massachusetts Institute of Technology (MIT) - Department of Chemical Engineering
Downloads 50 (1,063,489)

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polyolefin C-H activation, radical rebound, iron, ruthenium, Density functional theory, High-throughput screening, spin-state-dependent catalysis

3.

A Database of Ultrastable MOFs Reassembled From Stable Fragments With Machine Learning Models

Number of pages: 62 Posted: 09 Nov 2022
Aditya Nandy, Shuwen Yue, Changhwan Oh, Chenru Duan, Gianmarco G. Terrones, Yongchul Chung and Heather Kulik
Massachusetts Institute of Technology (MIT) - Department of Chemical Engineering, Massachusetts Institute of Technology (MIT) - Department of Chemical Engineering, Massachusetts Institute of Technology (MIT) - Department of Chemical Engineering, Massachusetts Institute of Technology (MIT) - Department of Chemical Engineering, Massachusetts Institute of Technology (MIT) - Department of Chemical Engineering, Pusan National University and Massachusetts Institute of Technology (MIT) - Department of Chemical Engineering
Downloads 43 (1,145,425)

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MOF, stability, elastic modulus, shear modulus, methane deliverable capacity

4.

Tailoring Dynamic Hydrogels by Controlling Associative Exchange Rates

Number of pages: 153 Posted: 27 Feb 2023
Vivian Zhang, Joseph V. Accardo, Ilia Kevlishvili, Eliot F. Woods, Steven J. Chapman, Christopher T. Eckdahl, Heather Kulik and Julia Ann Kalow
Northwestern University - Department of Chemistry, Northwestern University - Department of Chemistry, Massachusetts Institute of Technology (MIT) - Department of Chemical Engineering, Northwestern University - Department of Chemistry, Northwestern University - Department of Chemistry, Northwestern University - Department of Chemistry, Massachusetts Institute of Technology (MIT) - Department of Chemical Engineering and Northwestern University - Department of Chemistry
Downloads 38 (1,209,354)

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hydrogels, conjugate addition, quantitative structure-property relationships, viscoelasticity

5.

CoRE MOF DB: A Curated Experimental Metal-Organic Framework Database with Machine-Learned Properties for Integrated Material-Process Screening

Number of pages: 46 Posted: 24 Dec 2024
Guobin Zhao, Logan M. Brabson, Saumil Chheda, Ju Huang, Haewon Kim, Kunhuan Liu, Kenji Mochida, Thang D. Pham, Prerna, Gianmarco G. Terrones, Sunghyun Yoon, Lionel Zoubritzky, François-Xavier Coudert, Maciej Haranczyk, Heather Kulik, Seyed Mohamad Moosavi, David S. Sholl, J. Ilja Siepmann, Randall. Q. Snurr, Yongchul Chung and Sneak Peek Administrator
National University of Singapore, Georgia Institute of Technology, University of Minnesota - Minneapolis, University of Toronto, Pusan National University, Northwestern University, Northwestern University, Northwestern University, University of Minnesota - Minneapolis, Massachusetts Institute of Technology (MIT), Pusan National University, Chimie ParisTech, Chimie ParisTech, IMDEA Materials Institute, Massachusetts Institute of Technology (MIT) - Department of Chemical Engineering, École Polytechnique Fédérale de Lausanne (EPFL), Government of the United States of America - Oak Ridge National Laboratory, University of Minnesota - Minneapolis, Northwestern University, Pusan National University and Independent
Downloads 34 (1,263,436)

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metal-organic framework, material database, multi-scale modeling, carbon dioxide capture