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Javad Kondori, Simin Tazikeh, Javad Sayyad Amin, Omid Mohammadzadeh, Sohrab Zendehboudi & Faisal Khan. (2022) Quantum mechanics and molecular dynamics strategies to investigate self-aggregation of Quinolin-65. Journal of Molecular Liquids 368, pages 120552.
Crossref
Crossref
Abrar U. Hassan & Sajjad H. Sumrra. (2022) Exploration of Pull–Push Effect for Novel Photovoltaic Dyes with A–π–D Design: A DFT/TD-DFT Investigation. Journal of Fluorescence 32:6, pages 1999-2014.
Crossref
Crossref
Dipak Prasad & Nilanjan Mitra. (2022) Surface Reactivity of Cementitious Crystals Alite and Belite. The Journal of Physical Chemistry C 126:27, pages 11265-11276.
Crossref
Crossref
Samuel E. Hoff, Juan Liu & Hendrik Heinz. (2022) Binding mechanism and binding free energy of amino acids and citrate to hydroxyapatite surfaces as a function of crystallographic facet, pH, and electrolytes. Journal of Colloid and Interface Science 605, pages 685-700.
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Prathamesh P. Deshpande, Matthew S. Radue, Prashik Gaikwad, Swapnil Bamane, Sagar U. Patil, William A. Pisani & Gregory M. Odegard. (2021) Prediction of the Interfacial Properties of High-Performance Polymers and Flattened CNT-Reinforced Composites Using Molecular Dynamics. Langmuir 37:39, pages 11526-11534.
Crossref
Crossref
William A. Pisani, John K. Newman & Manoj K. Shukla. (2021) Multiscale Modeling of Polyamide 6 Using Molecular Dynamics and Micromechanics. Industrial & Engineering Chemistry Research 60:37, pages 13604-13613.
Crossref
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William A. Pisani, Dane N. Wedgeworth, Michael R. Roth, John K. Newman & Manoj K. Shukla. (2021) Computational Prediction of Mechanical Properties of PA6–Graphene/Carbon Nanotube Nanocomposites. The Journal of Physical Chemistry C 125:28, pages 15569-15578.
Crossref
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Swapnil S. Bamane, Prashik S. Gaikwad, Matthew S. Radue, S. Gowtham & Gregory M. Odegard. (2021) Wetting Simulations of High-Performance Polymer Resins on Carbon Surfaces as a Function of Temperature Using Molecular Dynamics. Polymers 13:13, pages 2162.
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Crossref
Simin Tazikeh, Javad Kondori, Sohrab Zendehboudi, Javad Sayyad Amin & Faisal Khan. (2021) Molecular dynamics simulation to investigate the effect of polythiophene-coated Fe3O4 nanoparticles on asphaltene precipitation. Chemical Engineering Science 237, pages 116417.
Crossref
Crossref
Agata Wiertel-Pochopien, Piotr Batys, Jan Zawala & Przemyslaw B. Kowalczuk. (2021) Synergistic Effect of Binary Surfactant Mixtures in Two-Phase and Three-Phase Systems. The Journal of Physical Chemistry B 125:15, pages 3855-3866.
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Krishan Kanhaiya, Seonghan Kim, Wonpil Im & Hendrik Heinz. (2021) Accurate simulation of surfaces and interfaces of ten FCC metals and steel using Lennard–Jones potentials. npj Computational Materials 7:1.
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Milad Asgarpour Khansary, Peyman Pouresmaeel-Selakjani, Mohammad Ali Aroon, Ahmad Hallajisani, Jennifer Cookman & Saeed Shirazian. (2020) A molecular scale analysis of TEMPO-oxidation of native cellulose molecules. Heliyon 6:12, pages e05776.
Crossref
Crossref
Sagar Umesh Patil, Matthew S. Radue, William A. Pisani, Prathamesh Deshpande, Hao Xu, Hashim Al Mahmud, Traian Dumitrică & Gregory M. Odegard. (2020) Interfacial characteristics between flattened CNT stacks and polyimides: A molecular dynamics study. Computational Materials Science 185, pages 109970.
Crossref
Crossref
Amanda Garley, Pedro J. Arias-Monje, Samuel E. Hoff, Marcus Sharp, Satish Kumar & Hendrik Heinz. (2020) Interaction of Poly(methyl acrylate) with Carbon Nanotubes as a Function of CNT Diameter, Chirality, and Temperature. The Journal of Physical Chemistry C 124:46, pages 25632-25644.
Crossref
Crossref
Behzad Damirchi, Matthew Radue, Krishan Kanhaiya, Hendrik Heinz, Gregory M. Odegard & Adri C. T. van Duin. (2020) ReaxFF Reactive Force Field Study of Polymerization of a Polymer Matrix in a Carbon Nanotube-Composite System. The Journal of Physical Chemistry C 124:37, pages 20488-20497.
Crossref
Crossref
Juan Liu, Jin Zeng, Cheng Zhu, Jianwei Miao, Yu Huang & Hendrik Heinz. (2020) Interpretable molecular models for molybdenum disulfide and insight into selective peptide recognition. Chemical Science 11:33, pages 8708-8722.
Crossref
Crossref
Milad Asgarpour Khansary, Mohammad Ali Aroon & Saeed Shirazian. (2020) Physical adsorption of CO2 in biomass at atmospheric pressure and ambient temperature. Environmental Chemistry Letters 18:4, pages 1423-1431.
Crossref
Crossref
Chamila C. Dharmawardhana, Jihan Zhou, Matthew Taylor, Jianwei Miao, John H. Perepezko & Hendrik Heinz. (2020) Reactive modeling of Mo3Si oxidation and resulting silica morphology. Acta Materialia 187, pages 93-102.
Crossref
Crossref
Tariq Jamil, Ali Javadi & Hendrik Heinz. (2020) Mechanism of molecular interaction of acrylate-polyethylene glycol acrylate copolymers with calcium silicate hydrate surfaces. Green Chemistry 22:5, pages 1577-1593.
Crossref
Crossref
Michele Regina Rosa Hamester, Carla Dalmolin & Daniela Becker. (2019) Role of π‐π interactions and chain flexibility in dispersion and dynamic‐mechanical properties of nanocomposites with multiple wall carbon nanotubes. Journal of Applied Polymer Science 136:45, pages 48195.
Crossref
Crossref
Chandrani Pramanik, Tariq Jamil, Jacob R. Gissinger, Darice Guittet, Pedro J. Arias‐Monje, Satish Kumar & Hendrik Heinz. (2019) Polyacrylonitrile Interactions with Carbon Nanotubes in Solution: Conformations and Binding as a Function of Solvent, Temperature, and Concentration. Advanced Functional Materials 29:50, pages 1905247.
Crossref
Crossref
Amanda Garley, Samuel E. Hoff, Nabanita Saikia, Sumanth Jamadagni, Arif Baig & Hendrik Heinz. (2019) Adsorption and Substitution of Metal Ions on Hydroxyapatite as a Function of Crystal Facet and Electrolyte pH. The Journal of Physical Chemistry C 123:27, pages 16982-16993.
Crossref
Crossref
Lan-Lan He, Yan Li, Dong-Xia Zhao, Ling Yu, Chong-Li Zhao, Li-Nan Lu, Cui Liu & Zhong-Zhi Yang. (2019) Structure and Phase Behavior of the Confined Water in Graphene Nanocapillaries Studied by ABEEMσπ Polarizable Force Field. The Journal of Physical Chemistry C 123:9, pages 5653-5666.
Crossref
Crossref
Siva Dasetty, Paul J Meza-Morales, Rachel B Getman & Sapna Sarupria. (2019) Simulations of interfacial processes: recent advances in force field development. Current Opinion in Chemical Engineering 23, pages 138-145.
Crossref
Crossref
Alexander Kyrychenko, Margaret M. Blazhynska, Maria V. Slavgorodska & Oleg N. Kalugin. (2019) Stimuli-responsive adsorption of poly(acrylic acid) onto silver nanoparticles: Role of polymer chain length and degree of ionization. Journal of Molecular Liquids 276, pages 243-254.
Crossref
Crossref
Alireza Soltani, Mohammad Ramezani Taghartapeh, Vahid Erfani-Moghadam, Masoud Bezi Javan, Fatemeh Heidari, Mehrdad Aghaei & Peter J. Mahon. (2018) Serine adsorption through different functionalities on the B12N12 and Pt-B12N12 nanocages. Materials Science and Engineering: C 92, pages 216-227.
Crossref
Crossref
Chandrani Pramanik, Dhriti Nepal, Michael Nathanson, Jacob R. Gissinger, Amanda Garley, Rajiv J. Berry, Amir Davijani, Satish Kumar & Hendrik Heinz. (2018) Molecular engineering of interphases in polymer/carbon nanotube composites to reach the limits of mechanical performance. Composites Science and Technology 166, pages 86-94.
Crossref
Crossref
Juan Liu, Emrys Tennessen, Jianwei Miao, Yu Huang, James M. Rondinelli & Hendrik Heinz. (2018) Understanding Chemical Bonding in Alloys and the Representation in Atomistic Simulations. The Journal of Physical Chemistry C 122:26, pages 14996-15009.
Crossref
Crossref
Mohamed A. M. Abdalla, Huiqing Peng, Di Wu, Lenna Abusin & Tawum J. Mbah. (2018) Prediction of Hydrophobic Reagent for Flotation Process Using Molecular Modeling. ACS Omega 3:6, pages 6483-6496.
Crossref
Crossref
Giovanni Settanni, Timo Schäfer, Christian Muhl, Matthias Barz & Friederike Schmid. (2018) Poly-sarcosine and Poly(Ethylene-Glycol) Interactions with Proteins Investigated Using Molecular Dynamics Simulations. Computational and Structural Biotechnology Journal 16, pages 543-550.
Crossref
Crossref
Chandrani Pramanik, Jacob R. Gissinger, Satish Kumar & Hendrik Heinz. (2017) Carbon Nanotube Dispersion in Solvents and Polymer Solutions: Mechanisms, Assembly, and Preferences. ACS Nano 11:12, pages 12805-12816.
Crossref
Crossref