Hegoi Manzano

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Jorge S. DoladoMaterials Physics Center; CFM-UPV/EHU (CSIC); DIPCVerified email at ehu.eus
Eduardo Duque-RedondoUniversity of the Basque Country, UPV/EHUVerified email at ehu.eus
Enrico MasoeroPolitecnico di MilanoVerified email at polimi.it
Roland J.-M. pellenqCNRSVerified email at cnrs.fr
Franz-Josef UlmMassachusetts Institute of TechnologyVerified email at mit.edu
Adri van DuinDistinguished Professor of Mechanical Engineering, Penn State UniversityVerified email at psu.edu
Virginia Martínez-Martínez (ORCID: 00...Universidad Pais Vasco UPV-EHUVerified email at ehu.eus
Paulo J.M. MONTEIRODepartment of Civil and Environmental Engineering, UC BerkeleyVerified email at berkeley.edu
Engin DurgunUNAM-National Nanotechnology Research Center, Bilkent UniversityVerified email at unam.bilkent.edu.tr
Patrick A. BonnaudToyota Central R&D Labs., Inc.Verified email at mosk.tytlabs.co.jp
Javier CarrascoRamon y Cajal Fellow, CIC Energigune, Miñano (Alava), SpainVerified email at cicenergigune.com
Marta PalaciosEduardo Torroja Institute for Construction Science (IETcc-CSIC)Verified email at ietcc.csic.es
Francisca Puertas (ORCID: 0000-0002...Instituto de Ciencias de la Construccion Eduardo Torroja (IETcc-CSIC)Verified email at ietcc.csic.es
Sidney YipMITVerified email at mit.edu
Maria Martinez-IbañezCIC energiGUNEVerified email at cicenergigune.com
Xabier M. AretxabaletaFisika Departamentua, University of the Basque CountryVerified email at ehu.es
Jon López-ZorrillaPhysics department, University of the Basque CountryVerified email at ehu.eus
Paul BowenVerified email at epfl.ch
Aslam Kunhi MohamedIIT MadrasVerified email at civil.iitm.ac.in
Juan J. GaiteroUniversity of the Basque Country UPV/EHUVerified email at ehu.eus

Hegoi Manzano

Department of Physics, University of the Basque Country UPV/EHU, (ORCID 0000-0001-7992-2718)

Verified email at ehu.eus - Homepage

Molecular Dynamics Cement Atomistic Simulations Mineral dissolution Solid state electrolytes


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A model for the CASH gel formed in alkali-activated slag cements F Puertas, M Palacios, H Manzano, JS Dolado, A Rico, J Rodríguez Journal of the European Ceramic Society 31 (12), 2043-2056, 2011	825	2011
Confined water dissociation in microporous defective silicates: mechanism, dipole distribution, and impact on substrate properties H Manzano, S Moeini, F Marinelli, ACT Van Duin, FJ Ulm, RJM Pellenq Journal of the American Chemical Society 134 (4), 2208-2215, 2012	312	2012
Elastic properties of the main species present in Portland cement pastes H Manzano, JS Dolado, A Ayuela Acta materialia 57 (5), 1666-1674, 2009	286	2009
Hydration of calcium oxide surface predicted by reactive force field molecular dynamics H Manzano, RJM Pellenq, FJ Ulm, MJ Buehler, ACT Van Duin Langmuir 28 (9), 4187-4197, 2012	239	2012
cemff: A force field database for cementitious materials including validations, applications and opportunities RK Mishra, AK Mohamed, D Geissbühler, H Manzano, T Jamil, ... Cement and Concrete Research, 2017	187	2017
Hysteresis from multiscale porosity: modeling water sorption and shrinkage in cement paste MB Pinson, E Masoero, PA Bonnaud, H Manzano, Q Ji, S Yip, JJ Thomas, ... Physical Review Applied 3 (6), 064009, 2015	163	2015
Mechanical properties of crystalline calcium‐silicate‐hydrates: comparison with cementitious C‐S‐H gels H Manzano, JS Dolado, A Guerrero, A Ayuela physica status solidi (a) 204 (6), 1775-1780, 2007	159	2007
Shear deformations in calcium silicate hydrates H Manzano, E Masoero, I Lopez-Arbeloa, HM Jennings Soft Matter 9 (30), 7333-7341, 2013	150	2013
Understanding and controlling the reactivity of the calcium silicate phases from first principles E Durgun, H Manzano, RJM Pellenq, JC Grossman Chemistry of Materials 24 (7), 1262-1267, 2012	148	2012
Interfacial connection mechanisms in calcium–silicate–hydrates/polymer nanocomposites: a molecular dynamics study Y Zhou, D Hou, H Manzano, CA Orozco, G Geng, PJM Monteiro, J Liu ACS applied materials & interfaces 9 (46), 41014-41025, 2017	127	2017
Impact of chemical impurities on the crystalline cement clinker phases determined by atomistic simulations H Manzano, E Durgun, MJ Abdolhosseine Qomi, FJ Ulm, RJM Pellenq, ... Crystal Growth & Design 11 (7), 2964-2972, 2011	121	2011
Atomistic simulations of geopolymer models: the impact of disorder on structure and mechanics F Lolli, H Manzano, JL Provis, MC Bignozzi, E Masoero ACS applied materials & interfaces 10 (26), 22809-22820, 2018	101	2018
Rational design of advanced photosensitizers based on orthogonal BODIPY dimers to finely modulate singlet oxygen generation N Epelde‐Elezcano, E Palao, H Manzano, A Prieto‐Castañeda, ... Chemistry–A European Journal 23 (20), 4837-4848, 2017	101	2017
Structural, mechanical, and reactivity properties of tricalcium aluminate using first‐principles calculations H Manzano, JS Dolado, A Ayuela Journal of the American Ceramic Society 92 (4), 897-902, 2009	98	2009
A molecular dynamics study of the aluminosilicate chains structure in Al‐rich calcium silicate hydrated (C–S–H) gels H Manzano, JS Dolado, M Griebel, J Hamaekers physica status solidi (a) 205 (6), 1324-1329, 2008	91	2008
Insight on tricalcium silicate hydration and dissolution mechanism from molecular simulations H Manzano, E Durgun, I López-Arbeloa, JC Grossman ACS applied materials & interfaces 7 (27), 14726-14733, 2015	89	2015
Aluminum incorporation to dreierketten silicate chains H Manzano, JS Dolado, A Ayuela The Journal of Physical Chemistry B 113 (9), 2832-2839, 2009	88	2009
Hydration mechanism of reactive and passive dicalcium silicate polymorphs from molecular simulations Q Wang, H Manzano, Y Guo, I Lopez-Arbeloa, X Shen The Journal of Physical Chemistry C 119 (34), 19869-19875, 2015	87	2015
On the formation of cementitious C–S–H nanoparticles H Manzano, A Ayuela, JS Dolado Journal of computer-aided materials design 14, 45-51, 2007	72	2007
Do cement nanotubes exist? H Manzano, AN Enyashin, JS Dolado, A Ayuela, J Frenzel, G Seifert Advanced Materials 24 (24), 3239-3245, 2012	71	2012

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