Issue Date | Title | Author(s) | Type | Access Type |
5-Aug-2023 | Coarse-grain molecular dynamics simulation framework to unravel the interactions of surfactants on silica surfaces for oil recovery | Pérez-Sánchez, Germán; Costa, Filipa M.; Silva, Gonçalo M. C.; Piñeiro, Manuel M.; Coutinho, João A. P. | article | |
2015 | Evaluation of the GROMOS 56A(CARBO) Force Field for the Calculation of Structural, Volumetric, and Dynamic Properties of Aqueous Glucose Systems | Batista, Marta L. S.; Pérez-Sánchez, Germán; Gomes, José R. B.; Coutinho, João A. P.; Maginn, Edward J. | article | |
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.; Almeida Paz, Filipe A. | 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 | |
27-Jun-2024 | Role of unimers to polymersomes transition in pluronic blends for controlled and designated drug conveyance | Patel, Divya; Tripathi, Nitumani; Vaswani, Payal; Pérez-Sánchez, Germán; Bhatia, Dhiraj; Kuperkar, Ketan; Coutinho, João A. P.; Bahadur, Pratap | 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 | |