Expanding the {Current|Present|Existing} Boundaries of Nature-based Modeling and Computing: Chem-Inspiration for Meta-Heuristics

High-throughput {methods|techniques|strategies|approaches|procedures|solutions} in science have {created|produced|developed|designed|made} a trend to {generate|produce|create} {massive|huge|enormous} {amount of|quantity of|level of|volume of} {data|information} that challenge our {ability to|capability to} mine and search {through|via|by means of|by way…

Comparison of Linear Response Theory,Projected Initial Maximum Overlap {Method|Technique|Approach|Strategy|System|Process}, andMolecular Dynamics {Based|Primarily based} Vibronic Spectra:The Case of Methylene Blue

Simulation of optical spectra {is essential|is crucial} to molecular characterization and, in {many|numerous|several|a lot of|quite a few|lots of} {cases|instances|circumstances|situations}, {critical|crucial|vital|essential|important} for interpreting experimental spectra. {The most|Probably the most|Essentially the most|One…