| Precise and ultrafast molecular sieving through graphene oxide membranes RK Joshi, P Carbone, FC Wang, VG Kravets, Y Su, IV Grigorieva, HA Wu, ... science 343 (6172), 752-754, 2014 | 2489 | 2014 |
| Tunable sieving of ions using graphene oxide membranes J Abraham, KS Vasu, CD Williams, K Gopinadhan, Y Su, CT Cherian, ... Nature nanotechnology 12 (6), 546-550, 2017 | 1645 | 2017 |
| Temperature-transferable coarse-grained potentials for ethylbenzene, polystyrene, and their mixtures HJ Qian, P Carbone, X Chen, HA Karimi-Varzaneh, CC Liew, ... Macromolecules 41 (24), 9919-9929, 2008 | 255 | 2008 |
| Transferability of coarse-grained force fields: The polymer case P Carbone, HAK Varzaneh, X Chen, F Müller-Plathe The Journal of chemical physics 128 (6), 2008 | 236 | 2008 |
| Van der Waals pressure and its effect on trapped interlayer molecules KS Vasu, E Prestat, J Abraham, J Dix, RJ Kashtiban, J Beheshtian, ... Nature communications 7 (1), 12168, 2016 | 178 | 2016 |
| How good are coarse‐grained polymer models? A comparison for atactic polystyrene HA Karimi‐Varzaneh, NFA Van Der Vegt, F Müller‐Plathe, P Carbone ChemPhysChem 13 (15), 3428-3439, 2012 | 118 | 2012 |
| A multiscale approach to model hydrogen bonding: The case of polyamide RJ Gowers, P Carbone The Journal of Chemical Physics 142 (22), 2015 | 90 | 2015 |
| IBIsCO: A molecular dynamics simulation package for coarse‐grained simulation HA Karimi‐Varzaneh, HJ Qian, X Chen, P Carbone, F Müller‐Plathe Journal of computational chemistry 32 (7), 1475-1487, 2011 | 88 | 2011 |
| Effective polarization in pairwise potentials at the graphene–electrolyte interface CD Williams, J Dix, A Troisi, P Carbone The Journal of Physical Chemistry Letters 8 (3), 703-708, 2017 | 86 | 2017 |
| Interactions of PEO–PPO–PEO block copolymers with lipid membranes: a computational and experimental study linking membrane lysis with polymer structure S Nawaz, M Redhead, G Mantovani, C Alexander, C Bosquillon, ... Soft Matter 8 (25), 6744-6754, 2012 | 83 | 2012 |
| Coarse-graining poly (ethylene oxide)–poly (propylene oxide)–poly (ethylene oxide)(PEO–PPO–PEO) block copolymers using the MARTINI force field S Nawaz, P Carbone The Journal of Physical Chemistry B 118 (6), 1648-1659, 2014 | 82 | 2014 |
| Insights into the polyhexamethylene biguanide (PHMB) mechanism of action on bacterial membrane and DNA: A molecular dynamics study S Sowlati-Hashjin, P Carbone, M Karttunen The Journal of Physical Chemistry B 124 (22), 4487-4497, 2020 | 71 | 2020 |
| Selective removal of technetium from water using graphene oxide membranes CD Williams, P Carbone Environmental science & technology 50 (7), 3875-3881, 2016 | 70 | 2016 |
| Studying long-time dynamics of imidazolium-based ionic liquids with a systematically coarse-grained model HA Karimi-Varzaneh, F Müller-Plathe, S Balasubramanian, P Carbone Physical Chemistry Chemical Physics 12 (18), 4714-4724, 2010 | 69 | 2010 |
| Charge diffusion in semiconducting polymers: analytical relation between polymer rigidity and time scales for intrachain and interchain hopping P Carbone, A Troisi The Journal of Physical Chemistry Letters 5 (15), 2637-2641, 2014 | 66 | 2014 |
| Hydrogen bonding and dynamic crossover in Polyamide-66: a molecular dynamics simulation study HA Karimi-Varzaneh, P Carbone, F Müller-Plathe Macromolecules 41 (19), 7211-7218, 2008 | 63 | 2008 |
| Molecular dynamics simulations of polyaminoamide (PAMAM) dendrimer aggregates: Molecular shape, hydrogen bonds and local dynamics P Carbone, F Müller-Plathe Soft Matter 5 (13), 2638-2647, 2009 | 60 | 2009 |
| Fine-graining without coarse-graining: an easy and fast way to equilibrate dense polymer melts P Carbone, HA Karimi-Varzaneh, F Müller-Plathe Faraday discussions 144, 25-42, 2010 | 55 | 2010 |
| Semantic interoperability and characterization of data provenance in computational molecular engineering MT Horsch, C Niethammer, G Boccardo, P Carbone, S Chiacchiera, ... Journal of Chemical & Engineering Data 65 (3), 1313-1329, 2019 | 51 | 2019 |
| A coarse-grained model for polyphenylene dendrimers: switching and backfolding of planar three-fold core dendrimers P Carbone, F Negri, F Müller-Plathe Macromolecules 40 (19), 7044-7055, 2007 | 51 | 2007 |
Christopher D. WilliamsThe University of Manchester在 manchester.ac.uk 的电子邮件经过验证
