A5090873581- Molecular Junctions and Nanostructures
- Quantum and electron transport phenomena
- Carbon Nanotubes in Composites
- Mechanical and Optical Resonators
- Surface and Thin Film Phenomena
- Quantum Computing Algorithms and Architecture
- Advanced Chemical Physics Studies
- Graphene research and applications
- Agricultural and Food Sciences
- Spectroscopy and Quantum Chemical Studies
- Graphite, nuclear technology, radiation studies
- Radioactivity and Radon Measurements
- Semiconductor materials and devices
- Photoreceptor and optogenetics research
- Nonlinear Optical Materials Research
- Cold Atom Physics and Bose-Einstein Condensates
- Neurological and metabolic disorders
- Quantum optics and atomic interactions
- Syphilis Diagnosis and Treatment
- Alcoholism and Thiamine Deficiency
- Nuclear and radioactivity studies
- Science and Education Research
- Theoretical and Computational Physics
- Infectious Encephalopathies and Encephalitis
- Women's cancer prevention and management
Trinity College Dublin
2013-2015
22q11 Ireland
2015
Advanced Materials and BioEngineering Research
2015
Universidade de São Paulo
2012
We present a computational scheme for extracting the energy-level alignment of metal/molecule interface, based on constrained density functional theory and local exchange correlation functionals. The method, applied here to benzene Li(100), allows us evaluate charge-transfer energies, as well spatial distribution image charge induced metal surface. systematically study energies transfer from molecule substrate function molecule-substrate distance, investigate effects arising image-charge...
A sepse, que se caracteriza como disfunção de múltiplos órgãos e/ou sistemas por uma resposta inflamatória desregulada do hospedeiro à um quadro infeccioso, pode levar encefalopatia associada sepse (SAE), síndrome multifatorial leva cerebral com dano irreversível. Este é comum e ainda mal compreendido em pacientes internados na UTI, levando a déficits cognitivos graves até ao óbito. Neste sentido, o propósito deste artigo revisar as principais características, fisiopatologia, diagnóstico,...
The use of nanoscale low-dimensional systems could boost the sensitivity gas sensors. In this work we simulate a nanoscopic sensor based on carbon nanotubes with large number binding sites using ab initio density functional electronic structure calculations coupled to Non-Equilibrium Green's Function formalism. We present recipe where adsorption process is studied followed by conductance single defect system and more realistic disordered considering different coverages molecules as one would...
We present a combination of density functional theory and both non-equilibrium Green's function formalism Master equation approach to accurately describe quantum transport in molecular junctions the Coulomb blockade regime.
Methods that preserve coherence broadly impact all quantum information processing and metrology applications. Dynamical decoupling methods accomplish this by protecting qubits in noisy environments but are typically constrained to the limit where themselves non-interacting. Here we consider alternate regime wherein inter-qubit couplings of same order as dephasing interactions with environment. We propose demonstrate a multi-pulse protocol protects transverse spin states suitably Hamiltonian...
O setor agrícola brasileiro tem grande representatividade na economia do país, com a inserção produtiva de diversas culturas. Uma delas, produção da cultura algodão (Gossypium hirsutum L.), que representa o cotonicultura, importante destaque indústria têxtil, devido à fibra natural. Neste contexto, este trabalho objetivo analisar histórico cotonicultura brasileira entre 1962 2018, identificando os maiores produtores e exportadores pluma seu comportamento concentração, base no Índice Vantagem...
The development of quantum technologies depends on investigating the behavior systems in noisy environments, since complete isolation from its environment is impossible to achieve. In this paper we show that a wave-particle duality experiment performed system with an arbitrarily white noise level cannot be explained classical terms, using hidden-variables models. light our results, analyze recent optical and NMR experiments loophole non-locality not fundamental.