2023
The landscape of computational approaches for artificial photosynthesis
Yang K, Kyro G, Batista V. The landscape of computational approaches for artificial photosynthesis. Nature Computational Science 2023, 3: 504-513. PMID: 38177419, DOI: 10.1038/s43588-023-00450-1.Peer-Reviewed Original Research
2013
Chapter 1
Xiao D, Warnke I, Bedford J, Batista V. Chapter 1. Chemical Modelling 2013, 10: 1-31. DOI: 10.1039/9781849737241-00001.Peer-Reviewed Original ResearchInverse molecular designMolecular designDye-sensitized solar cellsMaterials discoveryMolecular design strategyElectronic structure calculationsNovel nonlinear optical materialNonlinear optical materialsCatalyst designSolar fuelsMolecular systemsStructure calculationsSolar cellsOptical materialsDesign strategyComputational approachPromising approach
2003
Matching-pursuit for simulations of quantum processes
Wu Y, Batista V. Matching-pursuit for simulations of quantum processes. The Journal Of Chemical Physics 2003, 118: 6720-6724. DOI: 10.1063/1.1560636.Peer-Reviewed Original Research