CORDIS Project
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This project focuses on advancing electronic structure methods to predict molecular behavior more efficiently. By developing multi-level approaches that reduce computational costs, it aims to facilitate the simulation of molecular properties and dynamics, particularly for biologically relevant molecules.
Electronic structure methods are important tools used to understand, study and predict the behavior of molecular systems.
Advancement of these methods is the main objective of this proposal.
The applicability of accurate electron correlation methods is limited by the steep increase in the computational cost when the size of the molecular system is increased.In this project a new approach is proposed where the computational cost of the electron correlation part becomes constant with the size of t…
NORGES TEKNISK-NATURVITENSKAPELIGE UNIVERSITET NTNU
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