Authors: Duan, Chenru^{Aff1, Aff2, IDs43588023005637_cor1}, Du, Yuanqi, Jia, Haojun^{Aff1, Aff2}, Kulik, Heather J.^{Aff1, Aff2}

Superior Title: Nature Computational Science. 3(12):1045-1055

Authors: Cho, Yeongsu¹ (AUTHOR), Kulik, Heather J.^1,2 (AUTHOR) hjkulik@mit.edu

Superior Title: Journal of Chemical Physics. 4/21/2024, Vol. 160 Issue 15, p1-11. 11p.

Subject Terms: *GAS absorption & adsorption, *DENSITY functional theory, *SEPARATION of gases, *METAL-organic frameworks, *CALIBRATION, *GAS storage

Authors: Rasmussen, Maria H.^{Aff1, IDs13321023007900_cor1}, Duan, Chenru^{Aff2, Aff3}, Kulik, Heather J.^{Aff2, Aff3}, Jensen, Jan H.^{Aff1, IDs13321023007900_cor4}

Superior Title: Journal of Cheminformatics. 15(1)

Authors: Kim, Colin Y.^{Aff1, Aff2}, Mitchell, Andrew J., Kastner, David W.^{Aff2, Aff3}, Albright, Claire E., Gutierrez, Michael A., Glinkerman, Christopher M., Kulik, Heather J., Weng, Jing-Ke^{Aff1, Aff4, IDs41467023362991_cor8}

Superior Title: Nature Communications. 14(1)

Authors: Roh, Heejung, Kim, Dong‐Ha, Cho, Yeongsu, Jo, Young‐Moo, del Alamo, Jesús A., Kulik, Heather J., Dincă, Mircea, Gumyusenge, Aristide

Superior Title: Advanced Materials ; ISSN 0935-9648 1521-4095

Subject Terms: Mechanical Engineering, Mechanics of Materials, General Materials Science

Availability: https://doi.org/10.1002/adma.202312382

Authors: Kench, Timothy, Rahardjo, Arielle, Terrones, Gianmarco G., Bellamkonda, Adinarayana, Maher, Thomas E., Storch, Marko, Kulik, Heather J., Vilar, Ramon

Subject Terms: iridium, high throughput, automation, phosphorescence, PDT, photodynamic therapy, photoactive

Relation: https://dx.doi.org/10.1002/anie.202401808; https://dx.doi.org/10.5281/zenodo.10693830

Availability: https://doi.org/10.5281/zenodo.1069382910.1002/anie.20240180810.5281/zenodo.10693830

Authors: Adamji, Husain, Kevlishvili, Ilia, Nandy, Aditya, Román-Leshkov, Yuriy, Kulik, Heather J.

Superior Title: In Journal of Catalysis March 2024 431

Authors: Duan, Chenru^{Aff1, Aff2}, Nandy, Aditya^{Aff1, Aff2}, Meyer, Ralf, Arunachalam, Naveen, Kulik, Heather J.^{Aff1, Aff2, IDs43588022003840_cor5}

Superior Title: Nature Computational Science. 3(1):38-47

Authors: Johnson, Patricia N., Yao, Yunxin, Huang, Xiao, Kevlishvili, Ilia, Schrettl, Stephen, Weder, Christoph, Kulik, Heather J., Craig, Stephen L.

Superior Title: In Polymer 20 October 2023 285

Authors: Lundberg, David J., Brown, Christopher M., Bobylev, Eduard O., Oldenhuis, Nathan J., Alfaraj, Yasmeen S., Zhao, Julia, Kevlishvili, Ilia, Kulik, Heather J., Johnson, Jeremiah A.^{Aff2, Aff4, IDs4146702447666x_cor9}

Superior Title: Nature Communications. 15(1)

Authors: Zhang, Vivian, Accardo, Joseph V., Kevlishvili, Ilia, Woods, Eliot F., Chapman, Steven J., Eckdahl, Christopher T., Stern, Charlotte L., Kulik, Heather J., Kalow, Julia A.

Superior Title: In Chem 10 August 2023 9(8):2298-2317

Authors: Vennelakanti, Vyshnavi, Taylor, Michael G., Nandy, Aditya, Duan, Chenru, Kulik, Heather J.

Superior Title: Journal of Chemical Physics; 7/14/2023, Vol. 159 Issue 2, p1-19, 19p

Subject Terms: SPIN crossover, DENSITY functional theory, MOLECULAR electronics, HARTREE-Fock approximation, VALUES (Ethics), LIGANDS

Geographic Terms: MINNESOTA

Authors: Kulik, Heather J., Tiwary, Pratyush^{Aff2, IDs43577022004311_cor2}

Superior Title: MRS Bulletin. 47(9):927-929

Authors: Ariyarathna, Isuru R., Cho, Yeongsu, Duan, Chenru, Kulik, Heather J.

Superior Title: Royal Society of Chemistry

Subject Terms: Physical and Theoretical Chemistry, General Physics and Astronomy

File Description: application/pdf

Relation: Physical Chemistry Chemical Physics; https://hdl.handle.net/1721.1/154137; Ariyarathna, Isuru R., Cho, Yeongsu, Duan, Chenru and Kulik, Heather J. 2023. "Gas-phase and solid-state electronic structure analysis and DFT benchmarking of HfCO." Physical Chemistry Chemical Physics, 25 (39).; PUBLISHER_CC

Availability: https://hdl.handle.net/1721.1/154137

Authors: Edholm, Freya, Nandy, Aditya, Reinhardt, Clorice R., Kastner, David W., Kulik, Heather J.

Contributors: Arnold and Mabel Beckman Foundation, National Science Foundation of Sri Lanka, U.S. Department of Energy

Superior Title: Journal of Computational Chemistry ; volume 45, issue 6, page 352-361 ; ISSN 0192-8651 1096-987X

Subject Terms: Computational Mathematics, General Chemistry

Availability: https://doi.org/10.1002/jcc.27242

Authors: Vennelakanti, Vyshnavi, Kilic, Irem, Terrones, Gianmarco, Duan, Chenru, Kulik, Heather J.

Relation: https://dx.doi.org/10.5281/zenodo.10154384

Availability: https://doi.org/10.5281/zenodo.1015438510.5281/zenodo.10154384

Authors: Cytter, Yael, Nandy, Aditya, Duan, Chenru, Kulik, Heather J.

Relation: https://zenodo.org/record/7497666; https://doi.org/10.5281/zenodo.7497666; oai:zenodo.org:7497666

Availability: https://doi.org/10.5281/zenodo.7497666
https://doi.org/10.5281/zenodo.7497665
https://zenodo.org/record/7497666

Authors: Terrones, Gianmarco G., Duan, Chenru, Nandy, Aditya, Kulik, Heather J.

Superior Title: Chem Sci

Subject Terms: Chemistry

Relation: http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9906783/; http://www.ncbi.nlm.nih.gov/pubmed/36794185; http://dx.doi.org/10.1039/d2sc06150c

Availability: https://doi.org/10.1039/d2sc06150c
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9906783/
http://www.ncbi.nlm.nih.gov/pubmed/36794185

Authors: Arunachalam, Naveen, Gugler, Stefan, Taylor, Michael G, Duan, Chenru, Nandy, Aditya, Janet, Jon Paul, Meyer, Ralf, Oldenstaedt, Jonas, Chu, Daniel BK, Kulik, Heather J

Contributors: Massachusetts Institute of Technology. Department of Chemical Engineering, Massachusetts Institute of Technology. Department of Chemistry

Superior Title: American Institute of Physics (AIP)

File Description: application/pdf

Relation: The Journal of Chemical Physics; https://hdl.handle.net/1721.1/146976; Arunachalam, Naveen, Gugler, Stefan, Taylor, Michael G, Duan, Chenru, Nandy, Aditya et al. 2022. "Ligand additivity relationships enable efficient exploration of transition metal chemical space." The Journal of Chemical Physics, 157 (18).

Availability: https://hdl.handle.net/1721.1/146976

Authors: Aluru, Narayana R, Aydin, Fikret, Bazant, Martin Z, Blankschtein, Daniel, Brozena, Alexandra H, de Souza, J Pedro, Elimelech, Menachem, Faucher, Samuel, Fourkas, John T, Koman, Volodymyr B, Kuehne, Matthias, Kulik, Heather J, Li, Hao-Kun, Li, Yuhao, Li, Zhongwu, Majumdar, Arun, Martis, Joel, Misra, Rahul Prasanna, Noy, Aleksandr, Pham, Tuan Anh, Qu, Haoran, Rayabharam, Archith, Reed, Mark A, Ritt, Cody L, Schwegler, Eric, Siwy, Zuzanna, Strano, Michael S, Wang, YuHuang, Yao, Yun-Chiao, Zhan, Cheng, Zhang, Ze

Superior Title: Chemical Reviews, vol 123, iss 6

Subject Terms: Engineering, Affordable and Clean Energy, Chemical Sciences, General Chemistry

Time: 2737 - 2831

File Description: application/pdf

Relation: qt42m2n8mv; https://escholarship.org/uc/item/42m2n8mv

Availability: https://escholarship.org/uc/item/42m2n8mv