A molecular dynamics study of water transport inside an epoxy polymer matrix S Pandiyan, J Krajniak, G Samaey, D Roose, E Nies Computational Materials Science 106, 29-37, 2015 | 64 | 2015 |
Ion mobilities, transference numbers, and inverse Haven ratios of polymeric ionic liquids Z Zhang, BK Wheatle, J Krajniak, JR Keith, V Ganesan ACS Macro Letters 9 (1), 84-89, 2019 | 55 | 2019 |
ESPResSo++ 2.0: Advanced methods for multiscale molecular simulation HV Guzman, H Kobayashi, N Tretyakov, AC Fogarty, K Kreis, J Krajniak, ... Computer Physics Communications, 2019 | 38 | 2019 |
Generic Adaptive Resolution Method for Reverse Mapping of Polymers from Coarse-Grained to Atomistic Descriptions J Krajniak, S Pandiyan, E Nies, G Samaey Journal of Chemical Theory and Computation, 2016 | 29 | 2016 |
Mechanisms of ion transport in block copolymeric polymerized ionic liquids Z Zhang, J Krajniak, JR Keith, V Ganesan ACS Macro Letters 8 (9), 1096-1101, 2019 | 28 | 2019 |
A multiscale simulation study of influence of morphology on ion transport in block copolymeric ionic liquids Z Zhang, J Krajniak, V Ganesan Macromolecules 54 (11), 4997-5010, 2021 | 19 | 2021 |
Reverse mapping method for complex polymer systems J Krajniak, Z Zhang, S Pandiyan, E Nies, G Samaey Journal of Computational Chemistry 39 (11), 648-664, 2018 | 18 | 2018 |
Coarse‐grained molecular dynamics simulations of polymerization with forward and backward reactions J Krajniak, Z Zhang, S Pandiyan, E Nies, G Samaey Journal of Computational Chemistry 39 (22), 1764-1778, 2018 | 17 | 2018 |
Influence of polarizability on the structure, dynamic characteristics, and ion-transport mechanisms in polymeric ionic liquids Z Zhang, E Zofchak, J Krajniak, V Ganesan The Journal of Physical Chemistry B 126 (13), 2583-2592, 2022 | 15 | 2022 |
A Parallel Multiscale Simulation Framework for Complex Polymerization: AB2‐Type Monomer Hyperbranched Polymerization as an Example Z Zhang, J Krajniak, G Samaey, E Nies Advanced Theory and Simulations, 1800102, 2018 | 13 | 2018 |
Ion correlations and partial ionicities in the lamellar phases of block copolymeric ionic liquids Z Zhang, J Sass, J Krajniak, V Ganesan ACS Macro Letters 11 (11), 1265-1271, 2022 | 4 | 2022 |
Conductivity and Transference Numbers in Lithium Salt-Doped Block Copolymeric Ionic Liquid Electrolytes Z Zhang, J Krajniak, J Sass, HS Sachar, N Marioni, TJ Duncan, ... Macromolecules 56 (23), 9750-9765, 2023 | | 2023 |
Mechanisms of Ion Transport in Lithium Salt-doped Block Copolymeric Ionic Liquid Electrolytes Z Zhang, J Krajniak, V Ganesan APS March Meeting Abstracts 2023, N00. 067, 2023 | | 2023 |
Influence of polarizability on the ion transport mechanism of polymeric ionic liquid Z Zhang, D Lin, E Zofchak, J Krajniak, V Ganesan APS March Meeting Abstracts 2022, N00. 026, 2022 | | 2022 |
On the Transference Numbers and Inverse Haven Ratios of Ionic Liquids and Polymeric Ionic Liquids Z Zhang, B Wheatle, J Krajniak, J Keith, V Ganesan Bulletin of the American Physical Society 65, 2020 | | 2020 |
Influence of morphology on ion transport in polymerized ionic liquid Z Zhang, J Krajniak, V Ganesan ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
Adaptive resolution approach in simulation of complex polymer structures J Krajniak | | 2017 |
Monte Carlo Study of Patchy Nanostructures Self-Assembled from a Single Multiblock Chain J Krajniak, M Banaszak Computational Methods in Science and Technology 19 (3), 137-143, 2013 | | 2013 |
Supporting Information: On the Ion Mobilities, Transference Numbers and Inverse Haven Ratios of Polymeric Ionic Liquids Z Zhang, BK Wheatle, J Krajniak, JR Keith, V Ganesan | | |