Journal Articles

Andrei Dernov, Malgorzata Kowalik, Traian Dumitrica and Adrianus C van Duin, 2025, "Mapping the structural–mechanical landscape of amorphous carbon with ReaxFF molecular dynamics", Journal of Applied Physics, 137, (6)

Akshay Gharpure, Malgorzata Kowalik, Randy L Vander Wal and Adrianus C van Duin, 2024, "Upcycling Plastic Waste into Graphite Using Graphenic Additives for Energy Storage: Yield, Graphitic Quality, and Interaction Mechanisms via Experimentation and Molecular Dynamics", ACS Sustainable Chemistry & Engineering, 12, (11), pp. 4565–4575

Nadire Nayir, Qian Mao, Tao Wang, Malgorzata Kowalik, Yuwei Zhang, Swarit Dwivedi, Ga-Un Jeong, Yun Kyung Shin and Adrianus C van Duin, 2023, "Modeling and simulations for 2D materials: a ReaxFF perspective", 10, (3), pp. 032002

Falk Niefind, Qian Mao, Nadire Nayir, Malgorzata Kowalik, Andrew J. Winchester, Chengye Dong, Rinu A. Maniyara, Joshua A Robinson, Adrianus C van Duin and Sujitra Pookpanratana, 2023, "Watching (De)Intercalation of 2D Metals in Epitaxial Graphene: Insight into the Role of Defects", Small, 20, (11)

Ivan Gallegos, Josh Kemppainen, Jacob R. Gissinger, Malgorzata Kowalik, Adrianus C van Duin, Kristopher E. Wise, S Gowtham and Gregory Odegard, 2023, "Establishing Physical and Chemical Mechanisms of Polymerization and Pyrolysis of Phenolic Resins for Carbon-Carbon Composites", Carbon Trends, 12

Josh Kemppainen, Ivan Gallegos, Aaron S. Krieg, Jacob R. Gissinger, Kristopher E. Wise, Malgorzata Kowalik, Julia A. King, S. Gowtham, Adrianus C van Duin and Gregory Odegard, 2023, "Evolution of Glassy Carbon Derived from Pyrolysis of Furan Resin", ACS Appl. Eng. Mater., 1, (10)

Liwen Zhang, Malgorzata Kowalik, Behzad Damirchi, Xiaotian Fang, Qingwen Li, Philip Bradford, Adrianus C van Duin, Yuntian Zhu and Qian Mao, 2023, "Joint Theoretical and Experimental Study of Stress Graphitization in Aligned Carbon Nanotube/Carbon Matrix Composites", ACS Applied Materials & Interfaces, 15, (no. 27), pp. 32656-32666.

Qian Mao, Yuwei Zhang, Malgorzata Kowalik, Nadire Nayir, Michael Chandross and Adrianus C van Duin, 2022, "Oxidation and Hydrogenation of Monolayer MoS2 with Compositing agent under Environmental Exposure: The ReaxFF Mo/Ti/Au/O/S/H Force Field Development and Applications", Frontiers in Nanotechnology, 4, pp. 18

Qian Mao, Siavash Rajabpour, Mahdi Khajeh Talkhoncheh, Jiadeng Zhu, Malgorzata Kowalik and Adrianus C van Duin, 2022, "Cost-effective Carbon Fiber Precursor Selections of Polyacrylonitrile-derived Blend Polymers: Carbonization Chemistry and Structural Characterizations", Nanoscale, 14, (17), pp. 6357-6372

Prashik Gaikwad, Malgorzata Kowalik, Adrianus C van Duin and Gregory Odegard, 2022, "Computational Study of Effect of Radiation Induced Crosslinking on the Properties of Flattened Carbon Nanotubes", pp. 28945-28953

Jessica Schulze, Malgorzata Kowalik, Mutian Hua, Shuwang Wu, Yiusif Alsaid, Ximin He and Adrianus C van Duin, 2022, "Investigation of Mechanical Properties in PVA Hydrogels Due to Cation Interactions Described by Reactive Forcefield Based Molecular Dynamics Simulations", pp. 4632-4639

Malgorzata Kowalik, Md Jamil Hossain, Aditya Lele, Wenbo Zhu, Riju Banerjee, Tomotaroh Granzier-Nakajima, Mauricio Terrones Maldonado, Eric W Hudson and Adrianus C van Duin, 2021, "Atomistic-Scale Simulations on Graphene Bending Near a Copper Surface", Catalysts, 11, (208), pp. 12

Siavash Rajabpour, Qian Mao, Zan Gao, Mahdi Khajeh Talkhoncheh, Jiadeng Zhu, Yosyp Schwab, Malgorzata Kowalik, Xiaodong Li and Adrianus C van Duin, 2021, "Low-Temperature Carbonization of Polyacrylonitrile/Graphene Carbon Fibers: A Combined ReaxFF Molecular Dynamics and Experimental Study", Carbon, 174, pp. 345-356

Riju Banerjee, Viet-Hung Nguyen, Malgorzata Kowalik, Tomotaroh Granzier-Nakajima, Aurelien Lherbier, Lavish Pabbi, Mauricio Terrones Maldonado, Adrianus C van Duin, Jean-Christophe Charlier and Eric W Hudson, 2021, "Mechanical and Electronic Properties of Graphene under Periodically Modulated Strain", Bulletin of the American Physical Society, pp. C42-003

Riju Banerjee, Tomotaroh Granzier-Nakajima, Aditya Lele, Jessica Schulze, Jamil Hossain, Wenbo Zhu, Lavish Pabbi, Malgorzata Kowalik, Adrianus C van Duin, Mauricio Terrones Maldonado and Eric W Hudson, 2021, "On the Origin of Non-Classical Ripples in Draped Graphene Sheets", ACS Appl. Nano Mater., pp. 34

Liwen Zhang, Malgorzata Kowalik, Zan Gao, Chowdhury M Ashraf, Siavash Rajabpour, Clifton Bumgardner, Yosyp Schwab, Behzad Damirchi, Jiadeng Zhu, Dooman Akbarian, James W Klett, Adrianus C van Duin and Xiaodong Li, 2020, "Converting PBO Fibers into Carbon Fibers by Ultrafast Carbonization", Carbon, 159, pp. 432-442

Aniruddh Vashisth, Malgorzata Kowalik, Joseph Gerringer, Chowdhury Ashraf, Adrianus C van Duin and Micah J Green, 2020, "ReaxFF Simulations of Laser-Induced Graphene (LIG) Formation for Multifunctional Polymer Nanocomposites", ACS Applied Nano Materials, 3, (2), pp. 1881-1890

Qian Mao, Siavash Rajabpour, Malgorzata Kowalik and Adrianus C van Duin, 2020, "Predicting Cost-Effective Carbon Fiber Precursors: Unraveling the Functionalities of Oxygen and Nitrogen-Containing Groups During Carbonization from ReaxFF Simulations", Carbon, 159, pp. 25-36

Malgorzata Kowalik, Chowdhury Ashraf, Siavash Rajabpour, Behzad Damirchi, Dooman Akbarian, Qian Mao and Adrianus C van Duin, 2020, "Atomistic Analysis of PBO Carbonization Process with ReaxFF Reactive Force Field", Bulletin of the American Physical Society

Swarit Dwivedi, Malgorzata Kowalik, Nilton Rosenbach, Dalal S Alqarni, Yun Kyung Shin, Yongjian Yang, John Mauro, Akshat Tanksale, Alan L Chaffee and Adrianus C van Duin, 2020, "Atomistic Mechanisms of Thermal Transformation in a Zr-Metal Organic Framework, MIL-140C", The Journal of Physical Chemistry Letters, 12, (1), pp. 177--184

Zan Gao, Jiadeng Zhu, Siavash Rajabpour, Kaushik Joshi, Malgorzata Kowalik, Brendan Croom, Yosyp Schwab, Liwen Zhang, Clifton Bumgardner and Kenneth R Brown, 2020, "Graphene Reinforced Carbon Fibers", Science Advances, 6, (17), pp. 10

Siavash Rajabpour, Qian Mao, Zan Gao, Mahdi Khajeh Talkhoncheh, Jiadeng Zhu, Yosyp Schwab, Malgorzata Kowalik, Xiaodong Li and Adrianus C van Duin, 2020, "Polyacrylonitrile/Graphene Nanocomposite: Towards the Next Generation of Carbon Fibers", arXiv preprint arXiv:2006.11985, pp. 34

Utsab R Shrestha, Sydney Smith, Sai Venkatesh Pingali, HuI Yang, Mai Zahran, Lloyd Breunig, Liza Anne Wilson, Malgorzata Kowalik, James Kubicki and Daniel J Cosgrove, 2019, "Arabinose Substitution Effect on Xylan Rigidity and Self-Aggregation", Cellulose, 26, (4), pp. 2267-2278

Jiadeng Zhu, Zan Gao, Malgorzata Kowalik, Kaushik Joshi, Chowdhury M Ashraf, Mikhail I Arefev, Yosyp Schwab, Clifton Bumgardner, Kenneth Brown, Diana Elizabeth Burden, Liwen Zhang, James W Klett, Leonid V Zhigilei, Adrianus C van Duin and Xiaodong Li, 2019, "Unveiling Carbon Ring Structure Formation Mechanisms in Polyacrylonitrile-Derived Carbon Fibers", ACS Applied Materials & Interfaces, 11, (45), pp. 42288-42297

Malgorzata Kowalik, Chowdhury Ashraf, Behzad Damirchi, Dooman Akbarian, Siavash Rajabpour and Adrianus C van Duin, 2019, "Atomistic Scale Analysis of the Carbonization Process for C/H/O/N-Based Polymers with the ReaxFF Reactive Force Field", The Journal of Physical Chemistry B, 123, (25), pp. 5357-5367

Malgorzata Kowalik, Allen B Schantz, Abdullah Naqi, Yuexiao Shen, Ian Sines, Janna K Maranas and Manish Kumar, 2017, "Chemically Specific Coarse-Grained Models to Investigate the Structure of Biomimetic Membranes", RSC Advances, 7, (86), pp. 54756-54771

Malgorzata Kowalik, 2009, "Current-Induced Magnetic Dynamics in Asymmetric Ferromagnetic Single-Electron Devices", Acta Physica Polonica-Series A General Physics, 115, (1), pp. 3

Malgorzata Kowalik, 2008, "Spin Torque Characteristics for the Asymmetric Non-Collinearly Polarized Ferromagnetic Single-Electron Devices", Materials Science Poland, 26, (4), pp. 971-975

Malgorzata Kowalik, Ireneusz Weymann and Jozef Barnas, 2007, "Current-Induced Torque in Ferromagnetic Single-Electron Devices in the Limits of Fast and Slow Spin Relaxation", Materials Science-Poland, 25, (2), pp. 453-458

Jozef Barnas, Ireneusz Weymann, Justyna Wisniewska, Malgorzata Kowalik and Herbert W Kunert, 2006, "Single-and Double-Island Ferromagnetic Single-Electron Transistors", Materials Science and Engineering: B, 126, (2-3), pp. 275-278

Malgorzata Kowalik, Justyna Wisniewska and Jozef Barnas, 2006, "Torque Induced by Spin-Polarized Current in Ferromagnetic Single-Electron Transistors", physica status solidi (b), 243, (1), pp. 243-246

Justyna Wisniewska, Malgorzata Kowalik and Jozef Barnas, 2006, "Transport Characteristics of Ferromagnetic Single-Electron Transistors with Non-Collinear Magnetizations", Materials Science--Poland, 24, (3), pp. 761-767

Malgorzata Kowalik, Adam Lipowski and Antonio L Ferreira, 2002, "Oscillations and Dynamics in a Two-Dimensional Prey-Predator System", Physical Review E, 66, (6), pp. 5

Adam Lipowski and Malgorzata Kowalik, 1999, "Model of Biological Evolution with Threshold Dynamics and Infinitely Many Absorbing States", Physical Review E, 60, (2), pp. 4

Saiphaneendra Bachu, Malgorzata Kowalik, Benjamin Huet, Nadire Nayir, Swarit Dwivedi, Daniel Hickey, Chenhao Qian , David Snyder, Joan M Redwing, Adrianus C van Duin and Nasim Alem, , "Role of Bilayer Graphene Microstructure on the Nucleation of WSe2 Overlayers", ACS Nano, 17, (13), pp. pp.12140-12150

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