The first conference on Computational Approaches to Materials Design, CAMD 2015, will be held at the University of Aveiro on 25/26 June 2015. The main idea is to gather both experienced and less experienced researchers in the field, and to create an informal atmosphere for stimulating discussion and sharing of ideas. The conference will consist only of oral contributions on computational approaches ranging from classical to ab initio. The participation is free of charge but registration is required.
Alexandre C. BASTOS University of Aveiro, PT Modelling metallic corrosion - An overview with illustrative examples |
|
Miguel JORGE University of Strathclyde, UK Design of porous materials through molecular simulation |
|
|
Jorge M. C. MARQUES University of Coimbra, PT Atomic clusters from a global optimization perspective |
|
Tiago L. P. GALVÃO University of Aveiro, PT Why organic corrosion inhibitors inhibit? The case of 2-mercaptobenzothiazole adsorption onto an Al(111) surface |
|
J. Alexandre M. PINHO DA CRUZ University of Aveiro, PT Multiscale computational modelling of composite materials: A finite element approach |
|
José COUTINHO University of Aveiro, PT Tunable metadopants for semiconductor nanocrystal metasolids |
|
Francesc VIÑES University of Barcelona, ES Performance of exchange-correlation functionals on transition metals |
|
Paulo RIBEIRO CLARO University of Aveiro, PT From molecules to molecular materials using a pairwise approach |
|
José L. C. FAJÍN University of Porto, PT Computer based design of catalyts for reactions on surfaces |
|
Mariela NOLASCO University of Aveiro, PT Electronic structure assessment of lanthanide complexes: A theoretical-experimental approach |
|
Nuno A. G. BANDEIRA ICIQ - Tarragona, ES Unveiling the chemistry, stability and magnetic properties of polyoxometalates with the helping hand of DFT |
|
Nuno ARAÚJO University of Lisbon, PT Collective dynamics in the presence of external fields |
|
Adrià GIL-MESTRES University of Lisbon, PT Trends in the adsorption of 3d transition metal atoms, hydrogen activation and storage onto graphene surfaces |
|
Nuno M. SILVESTRE University of Lisbon, PT Mean field modelling of liquid crystals at patterned substrates: from wetting to the controlled assembly of colloidal particle |
|
Andreia PEREIRA University of Porto, PT Unveiling the magnetocaloric effect in cancer cells through numerical simulations |
|
Estelina DA SILVA University of Bath, UK Ab-initio studies of lattice dynamics and phase transitions of materials |
|
Carlos E. S. BERNARDES University of Lisbon, PT Probing the structure of solutions using molecular dynamic simulations |
|
Vasumathi VELACHI University of Porto, PT Molecular dynamics simulation study of structure and hydration properties of mixed-ligand coated nanoparticle at striped phases |
|
Cristovão DIAS University of Lisbon, PT Modeling functionalized colloids on substrates |
|
|
Amphitheater of the Department of Chemistry, Campus Universitário de Santiago, University of Aveiro.
Time | Speaker / Title |
---|---|
09:15 | Registration and Opening Session |
10:00 | JORGE / Design of porous materials through molecular simulation |
10:45 | COFFEE BREAK |
11:10 | PINHO DA CRUZ / Multiscale computational modelling of composite materials: A finite element approach |
11:55 | PEREIRA / Unveiling the magnetocaloric effect in cancer cells through numerical simulations |
12:20 | VELACHI / Molecular dynamics simulation study of structure and hydration properties of mixed-ligand coated nanoparticle at striped phases |
12:45 | BREAK |
14:00 | MARQUES / Atomic clusters from a global optimization perspective |
14:45 | ARAÚJO / Collective dynamics in the presence of external fields |
15:30 | COFFEE BREAK |
15:55 | BANDEIRA / Unveiling the chemistry, stability and magnetic properties of polyoxometalates with the helping hand of DFT |
16:20 | VIÑES / Performance of exchange-correlation functionals on transition metals |
16:45 | FAJÍN / Computer based design of catalyts for reactions on surfaces |
17:10 | GIL-MESTRES / Trends in the adsorption of 3d transition metal atoms, hydrogen activation and storage onto graphene surfaces |
17:35 | GALVÃO / Why organic corrosion inhibitors inhibit? The case of 2-mercaptobenzothiazole adsorption onto an Al(111) surface |
18:00 | RIBEIRO-CLARO / From molecules to molecular materials using a pairwise approach |
18:25 | "CAMD" |
Time | Speaker / Title |
---|---|
09:15 | COUTINHO / Tunable metadopants for semiconductor nanocrystal metasolids |
10:00 | DA SILVA / Ab-initio studies of lattice dynamics and phase transitions of materials |
10:45 | COFFEE BREAK |
11:10 | DIAS / Modeling functionalized colloids on substrates |
11:55 | BERNARDES / Probing the structure of solutions using molecular dynamic simulations |
12:20 | NOLASCO / Electronic structure assessment of lanthanide complexes: A theoretical-experimental approach |
12:45 | BREAK |
14:00 | SILVESTRE / Mean field modelling of liquid crystals at patterned substrates: from wetting to the controlled assembly of colloidal particle |
14:45 | BASTOS / Modelling metallic corrosion - An overview with illustrative examples |
15:30 | Closing Session |
José R. B. GOMES University of Aveiro, PT CICECO - Aveiro Institute of Materials | Research Line #4 (Computing and Modelling) |
|
Cátia TEIXEIRA University of Aveiro, PT CICECO - Aveiro Institute of Materials | Research Line #4 (Computing and Modelling) |
|
Mirtha LOURENÇO University of Aveiro, PT CICECO - Aveiro Institute of Materials | Research Line #4 (Computing and Modelling) |