Publications
M. Settem, R. Ferrando, and A. Giacomello. "Tempering of Au nanoclusters: capturing the temperature-dependent competition among structural motifs", Nanoscale , 14(3), 939-952., 2022. DOI: https://doi.org/10.1039/D1NR05078H
F. Cecconi, G. Costantini, C. Guardiani, M. Baldovin, A. Vulpiani. "Correlation, response and entropy approaches to allosteric behaviors: a critical comparison on the ubiquitin case", Physical Biology, 20(5), 2023. DOI: https://doi.org/10.1088/1478-3975/ace1c5
G. Paulo, A. Gubbiotti, A. Giacomello, "An atomistically informed multiscale approach to the intrusion and extrusion of water in hydrophobic nanopores", The Journal of Chemical Physics 158 (20) 2023. DOI: https://doi.org/10.1063/5.0147647
E. Amayuelas, M: Tortora, L. Bartolomé, J.D. Littlefair, G. Paulo, A. Le Donne, B. Trump, A.A. Yakovenko, M. Chorążewski, A. Giacomello, P. Zajdel, S. Meloni, and Y. Grosu. "Mechanism of Water Intrusion into Flexible ZIF-8: Liquid Is Not Vapor" Nano Letters, (12), 23, 2023. DOI: https://doi.org/10.1021/acs.nanolett.3c00235
L. JW Johnson, G. Paulo, L. Bartolomé, E. Amayuelas, A. Gubbiotti, D. Mirani, A. Le Donne, G. A López, G. Grancini, P. Zajdel, S. Meloni, A. Giacomello, Y. Grosu. "Optimization of the wetting-drying characteristics of hydrophobic metal organic frameworks via crystallite size: The role of hydrogen bonding between intruded and bulk liquid", Journal of Colloid and Interface Science 645, 775-783, 2023. DOI: https://doi.org/10.1016/j.jcis.2023.04.059
C.A.Z. Bassetto, F. Costa, C. Guardiani, F. Bezanilla and A. Giacomello. "Noncanonical electromechanical coupling paths in cardiac hERG potassium channel". Nature Communications 14, 1110 (2023). https://doi.org/10.1038/s41467-023-36730-7
G. Paulo, A. Gubbiotti, Y. Grosu, S. Meloni and A. Giacomello. "The impact of secondary channels on the wetting properties of interconnected hydrophobic nanopores", Communications Physics, 6(1), 21., 2023. DOI: https://doi.org/10.1038/s42005-023-01140-0
C. Guardiani, F. Cecconi, L. Chiodo, G. Cottone, P. Malgaretti, L. Maragliano, M. L. Barabash, G. Camisasca, M. Ceccarelli, B. Corry, R. Roth, A. Giacomello and B. Roux, "Computational methods and theory for ion channel research", Advances in Physics: X, 7:1, 2022. DOI: https://doi.org/10.1080/23746149.2022.2080587
A. Gubbiotti, M. Baldelli, G. Di Muccio, P. Malgaretti, S. Marbach and M. Chinappi, "Electroosmosis in nanopores: computational methods and technological applications", Advances in Physics: X, 7:1, 2022. DOI: https://doi.org/10.1080/23746149.2022.2036638
A. Le Donne, A. Tinti, E. Amayuelas, H. K. Kashyap, G. Camisasca, R. C. Remsing, R. Roth, Y. Grosu and S. Meloni, "Intrusion and extrusion of liquids in highly confining media: bridging fundamental research to applications", Advances in Physics: X, 7:1, 2022. DOI: https://doi.org/10.1080/23746149.2022.2052353
E. Telari, A. Tinti and A. Giacomello, "Intrinsic and apparent slip at gas-enriched liquid–liquid interfaces: a molecular dynamics study", Journal of Fluid Mechanics, 938, A35 2022. Cambridge University Press. DOI: https://doi.org/10.1017/jfm.2022.162
F. Costa, C. Guardiani and A. Giacomello, "Molecular dynamics simulations suggest possible activation and deactivation pathways in the hERG channel", Commun Biol 5, 165 2022. DOI: https://doi.org/10.1038/s42003-022-03074-9
F. Costa, C. Guardiani and A. Giacomello, "Exploring Kv1.2 Channel Inactivation Through MD Simulations and Network Analysis." Front. Mol. Biosci. 8:784276. 2021. DOI: https://doi.org/10.3389/fmolb.2021.784276
C. Guardiani, D. Sun and A. Giacomello, "Unveiling the Gating Mechanism of CRAC Channel: A Computational Study." Front. Mol. Biosci. 8:773388. 2021. DOI: https://doi.org/10.3389/fmolb.2021.773388
M. Silvestrini, A. Tinti, A. Giacomello, C. Brito, “Can one predict a drop contact angle?”, Advanced Materials Interfaces, 2021: 2101005. DOI: https://doi.org/10.1002/admi.202101005
A. Giacomello, C.M. Casciola, Y. Grosu, S. Meloni, "Liquid intrusion in and extrusion from non-wettable nanopores for technological applications", Eur. Phys. J. B, 94, 8, 1-24, 2021. DOI: https://doi.org/10.1140/epjb/s10051-021-00170-3
M. Tortora, P. Zajdel, A.R. Lowe, M. Chorążewski, J.B. Leão, G.V. Jensen, M. Bleuel, A. Giacomello, C.M. Casciola, S. Meloni, Y. Grosu, "Giant Negative Compressibility by Liquid Intrusion into Superhydrophobic Flexible Nanoporous Frameworks", Nano Lett., 21, 7, 2848–2853, 2021. DOI: https://doi.org/10.1021/acs.nanolett.0c04941
A. Tinti, G. Camisasca, A. Giacomello, “Structure and dynamics of water confined in cylindrical nanopores with varying hydrophobicity”, Philosophical Transactions of the Royal Society A, 379, 2208, 20200403, 2021. DOI: https://doi.org/10.1098/rsta.2020.0403
W.A.T. Gibby, O.A. Fedorenko, C. Guardiani, M.L. Barabash, T. Mumby, S.K. Roberts, D.G. Luchinsky, P.V.E. McClintock, “Application of a statistical and linear response theory to multi-ion Na+ conduction in NaChBac”, Entropy, 23, 249, 2021, DOI: https://doi.org/10.3390/e23020249
M.L. Barabash, W.A.T. Gibby, C. Guardiani, A. Smolyanitsky, D.G. Luchinsky, P.V.E. McClintock, “Origin and control of ionic hydration patterns in nanopores.” Commun Mater 2, 65, 2021. DOI: https://doi.org/10.1038/s43246-021-00162-x
O.A. Fedorenko, I.A. Khovanov, S.K. Roberts, C. Guardiani, “Changes in Ion Selectivity Following the Asymmetrical Addition of Charge to the Selectivity Filter of Bacterial Sodium Channels”, Entropy, 22, 1390, 2020, DOI: https://doi.org/10.3390/e22121390
A. Giacomello and R. Roth, "Bubble formation in nanopores: a matter of hydrophobicity, geometry and size", Advances in Physics: X, Vol. 5 NO. 1, 1817780, 2020. DOI: https://doi.org/10.1080/23746149.2020.1817780
G. Camisasca, A. Tinti, A. Giacomello, "Gas-induced drying in nanopores", J. Phys. Chem. Lett., 11, 9171-9177, 2020. DOI: https://doi.org/10.1021/acs.jpclett.0c02600
Y. Grosu, Y. Zhao, A. Giacomello, S. Meloni, J.-L. Dauvergne, A. Nikulin, E. Palomo, Y. Ding, A. Faik, "Hierarchical macro-nanoporous metals for leakage-free high-thermal conductivity shape-stabilized phase change materials", Applied Energy, Vol. 269, 115088, 2020. DOI: https://doi.org/10.1016/j.apenergy.2020.115088
S. Marchio, S. Meloni, A. Giacomello, C. M. Casciola, "Wetting and recovery of nano-patterned surfaces beyond the classical picture", Nanoscale, 11, 21458-21470, 2019. DOI: https://doi.org/10.1039/C9NR05105H
A. Giacomello, L. Schimmele, S. Dietrich, M. Tasinkevych, "Recovering superhydrophobicity in nanoscale and macroscale surface textures", Soft Matter, 15, 7462-7471, 2019. DOI: https://doi.org/10.1039/C9SM01049A