Projects
Benchmarking cloud computing for large scale computer-aided engineering of dyes for dye-sensitized solar cells (AWS Cloud - Proof of Concept)
Local CoordinatorOther International
eDYE - Engineering Dyes for Dye-Sensitized Solar Cells (IF/00973/2014)
CoordinatorFundação para a Ciência e a Tecnologia
computational material science;redox-active ligands;photoactivity;aromatic macrocycles;cheap clean energyIonic liquid-based supports for pre-miRNAs purification targeting Alzheimers disease (PUREmiRSILs)
PartnerFundação para a Ciência e a Tecnologia
Modeling the synthesis of SILica materials VIA multiscale computer simulations (SILVIA)
PartnerFundação para a Ciência e a Tecnologia
Polymorphism in pharmaceuticals: new insights from NMR Crystallography (EXPL/QEQ-QFI/2078/2013)
PartnerFundação para a Ciência e a Tecnologia
Solid-state NMR spectroscopy Polymorphism in active pharmaceutical ingredients NMR Crystallography Dynamic nuclear polarizationPublications
Sticky-MARTINI as a reactive coarse-grained model for molecular dynamics simulations of silica polymerization
                
				
                    Carvalho, AP; Santos, SM; Perez-Sanchez, G; Gouveia, JD; Gomes, JRB; Jorge, M
				
				
				
                    2022, NPJ COMPUTATIONAL MATERIALS, 8, 1.				
                
			
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Effects of thiol functionalization of a waste-derived activated carbon on the adsorption of sulfamethoxazole from water: Kinetic, equilibrium and thermodynamic studies
                
				
                    Jaria, G; Calisto, V; Gil, MV; Ferreira, P; Santos, SM; Otero, M; Esteves, VI
				
				
				
                    2021, JOURNAL OF MOLECULAR LIQUIDS, 323.				
                					
					
						ISBN:
                        1873-3166
					
                    
			
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Mesoscale model of the synthesis of periodic mesoporous benzene-silica
                
				
                    Gouveia, JD; Perez-Sanchez, G; Santos, SM; Carvalho, AP; Gomes, JRB; Jorge, M
				
				
				
                    2020, JOURNAL OF MOLECULAR LIQUIDS, 316.				
                					
					
						ISBN:
                        1873-3166
					
                    
			
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Oxidation of tellurium dyes induced by mercury: More insights on the naked-eye and fluorescent Hg2+ detection
                
				
                    Soares-Paulino, AA; Giroldo, L; Celante, G; Oliveira, E; Santos, SM; Mendes, RF; Paz, FAA; Fioroto, AM; Oliveira, PV; Serrano, SHP; Lodeiro, C; Dos Santos, AA
				
				
				
                    2019, DYES AND PIGMENTS, 160, 208-216.				
                					
					
						ISBN:
                        1873-3743
					
                    
			
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New nitroindazolylacetonitriles: efficient synthetic access via vicarious nucleophilic substitution and tautomeric switching mediated by anions
                
				
                    Eddahmi, M; Moura, NMM; Bouissane, L; Gamouh, A; Faustino, MAF; Cavaleiro, JAS; Paz, FAA; Mendes, RF; Lodeiro, C; Santos, SM; Neves, MGPMS; Rakib, E
				
				
				
                    2019, NEW JOURNAL OF CHEMISTRY, 43, 36, 14355-14367.				
                					
					
						ISBN:
                        1369-9261
					
                    
			
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Production of highly efficient activated carbons from industrial wastes for the removal of pharmaceuticals from water-A full factorial design
                
				
                    Jaria, G; Silva, CP; Oliveira, JABP; Santos, SM; Gil, MV; Otero, M; Calisto, V; Esteves, VI
				
				
				
                    2019, JOURNAL OF HAZARDOUS MATERIALS, 370, 212-218.				
                					
					
						ISBN:
                        1873-3336
					
                    
			
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Computational optimization of bioadsorbents for the removal of pharmaceuticals from water
                
				
                    Pereira, JM; Calisto, V; Santos, SM
				
				
				
                    2019, JOURNAL OF MOLECULAR LIQUIDS, 279, 669-676.				
                					
					
						ISBN:
                        1873-3166
					
                    
			
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Paper pulp-based adsorbents for the removal of pharmaceuticals from wastewater: A novel approach towards diversification
                
				
                    Oliveira, G; Calisto, V; Santos, SM; Otero, M; Esteves, VI
				
				
				
                    2018, SCIENCE OF THE TOTAL ENVIRONMENT, 631-632, 1018-1028.				
                
			
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An efficient hybrid adsorbent based on silica-supported amino penta-carboxylic acid for water purification
                
				
                    Radi, S; El Abiad, C; Carvalho, AP; Santos, SM; Faustino, MAF; Neves, MGPMS; Moura, NMM
				
				
				
                    2018, JOURNAL OF MATERIALS CHEMISTRY A, 6, 27, 13096-13109.				
                
			
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Cholinium-Based Good's Buffers Ionic Liquids as Remarkable Stabilizers and Recyclable Preservation Media for Recombinant Small RNAs
                
				
                    Pedro, AQ; Pereira, P; Quental, MJ; Carvalho, AP; Santos, SM; Queiroz, JA; Sousa, F; Freire, MG
				
				
				
                    2018, ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 6, 12, 16645-16656.				
                
			
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