CORDIS Project
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This project develops a computational tool for calculating the electronic structure of nanosized solutes and their solvent interactions. By integrating advanced algorithms, it aims to provide insights into molecular properties, facilitating the design of new materials.
The ultimate goal of this proposal is to develop a multi-scale computational tool for selfconsistent calculations of the electronic structure of nanosized solutes and the density distribution of solvent molecules around them.
The aim of the project is to combine the advantages of the reference-interaction-site-model-self-consistent-field (RISM-SCF) methodology with the power of multi-scale algorithms based on wavelets.
The proposed development of the wavelet solver for the RISM-SCF equations sho…
MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN EV
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