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Showing results 2 to 13 of 13
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Issue Date
Title
Author(s)
Type
Access Type
Oct-2018
A molecular dynamics framework to explore the structure and dynamics of layered double hydroxides
Pérez-Sánchez, Germán
;
Galvão, Tiago L. P.
;
Tedim, João
;
Gomes, José R. B.
article
27-Jan-2021
Multifunctionality in an Ion-Exchanged Porous Metal-Organic Framework
Vilela, Sérgio M. F.
;
Navarro, Jorge A. R.
;
Barbosa, Paula
;
Mendes, Ricardo F.
;
Pérez-Sánchez, Germán
;
Nowell, Harriott
;
Ananias, Duarte
;
Figueiredo, Filipe
;
Gomes, José R. B.
;
Tomé, João P. C.
;
Paz, Filipe A Almeida
article
27-Nov-2022
Multiscale computational approaches toward the understanding of materials
Bordonhos, Marta
;
Galvão, Tiago L. P.
;
Gomes, José R. B.
;
Gouveia, José D.
;
Jorge, Miguel
;
Lourenço, Mirtha A. O.
;
Pereira, José M.
;
Pérez-Sánchez, Germán
;
Pinto, Moisés L.
;
Silva, Carlos M.
;
Tedim, João
;
Zêzere, Bruno
article
26-Apr-2016
Multiscale model for the templated synthesis of mesoporous silica: the essential role of silica oligomers
Pérez-Sánchez, Germán
;
Chien, Szu-Chia
;
Gomes, José R. B.
;
Cordeiro, M. Natália D. S.
;
Auerbach, Scott M.
;
Monson, Peter A.
;
Jorge, Miguel
article
1-May-2019
Rationalizing the phase behavior of triblock copolymers through experiments and molecular simulations
Pérez-Sánchez, Germán
;
Vicente, Filipa A.
;
Schaeffer, Nicolas
;
Cardoso, Inês S.
;
Ventura, Sónia P. M.
;
Jorge, Miguel
;
Coutinho, João A. P.
article
25-Mar-2022
Sticky-MARTINI as a reactive coarse-grained model for molecular dynamics simulations of silica polymerization
Carvalho, André P.
;
Santos, Sérgio M.
;
Pérez-Sánchez, Germán
;
Gouveia, Daniel
;
Gomes, José R. B.
;
Jorge, Miguel
article
15-Jul-2020
The cation effect on the solubility of glycylglycine and N-acetylglycine in aqueous solution: experimental and molecular dynamics studies
Pérez-Sánchez, Germán
;
Santos, Yoselyn S.
;
Ferreira, Olga
;
Coutinho, João A. P.
;
Gomes, José R. B.
;
Pinho, Simão P.
article
13-Aug-2020
Unravelling the interactions between surface-active ionic liquids and triblock copolymers for the design of thermal responsive systems
Pérez-Sánchez, Germán
;
Vicente, Filipa A.
;
Schaeffer, Nicolas
;
Cardoso, Inês S.
;
Ventura, Sónia P. M.
;
Jorge, Miguel
;
Coutinho, João A. P.
article
2020
Unveiling the local structure of 2-mercaptobenzothiazole intercalated in (Zn2Al) layered double hydroxides
Novell-Leruth, Gerard
;
Pérez-Sánchez, Germán
;
Galvão, Tiago L. P.
;
Boiba, Dziyana
;
Poznyak, Syargei
;
Carneiro, Jorge
;
Tedim, João
;
Gomes, José R. B.
article
28-May-2021
Unveiling the phase behavior of CiEj non-ionic surfactants in water through coarse-grained molecular dynamics simulations
Crespo, Emanuel A.
;
Vega, Lourdes F.
;
Pérez-Sánchez, Germán
;
Coutinho, João A. P.
article
14-Nov-2020
Using coarse-grained molecular dynamics to rationalize biomolecule solubilization mechanisms in ionic liquid-based colloidal systems
Bastos, Henrique
;
Bento, Ricardo
;
Schaeffer, Nicolas
;
Coutinho, João A. P.
;
Pérez-Sánchez, Germán
article
14-Mar-2021
Using coarse-grained molecular dynamics to understand the effect of ionic liquids on the aggregation of Pluronic copolymer solutions
Pérez-Sánchez, Germán
;
Schaeffer, Nicolas
;
Lopes, André M.
;
Pereira, Jorge F. B.
;
Coutinho, João A. P.
article