• MS, Physics, Adam Mickiewicz University, 1999
• Ph D, Physics, Adam Mickiewicz University, 2003

Journal Articles

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

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

Conference Proceedings

Malgorzata Kowalik, Chowdhury M Ashraf and Adrianus C van Duin, 2019, "Atomistic Investigation of a Carbonization Process for C/H/O/N-Based Polymers with Use of the Reactive Potentials: ReaxFF", 2019

Siavash Rajabpour, Zan Gao, Malgorzata Kowalik, Jiadeng Zhu, Xiaodong Li and Adrianus C van Duin, 2019, "Unveiling Graphene Role in PAN/Graphene Composite Fiber: Combination of Atomistic Scale Simulation and Experimental Characterization", 258

Malgorzata Kowalik, Ian Sines, Janna K Maranas and Manish Kumar, 2015, "Transferable Potentials for Coarse-Grained Simulations of Block Copolymer Biomimetic Membranes", Bulletin of the American Physical Society, APS, 60

Malgorzata Kowalik and Janna K Maranas, 2013, "Can Coarse-Grained Force Field Parameters be Transferable?", 2013, pp. Q1--138

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