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For such problems, to achieve given accuracy, it takes much less computational time to use an implicit method with larger time steps, even taking into account that one needs to solve an equation of the form (1) at each time step. That said, whether one should use an explicit or implicit method depends upon the problem to be solved.
Alternatively, a few explicit solvent molecules can be added to a QM region and the rest of the solvent treated implicitly. Previous work has shown mixed results upon the addition of explicit solvent molecules to an implicit solvent. One example added up to three explicit water molecules to a QM calculation with an implicit COSMO water model.
Implicit solvation (sometimes termed continuum solvation) is a method to represent solvent as a continuous medium instead of individual “explicit” solvent molecules, most often used in molecular dynamics simulations and in other applications of molecular mechanics.
For simulating molecules in a solvent, a choice should be made between an explicit and implicit solvent. Explicit solvent particles (such as the TIP3P, SPC/E and SPC-f water models) must be calculated expensively by the force field, while implicit solvents use a mean-field approach. Using an explicit solvent is computationally expensive ...
The effect of explicit solute model on solute behavior in biomolecular simulations has been also extensively studied. It was shown that explicit water models affected the specific solvation and dynamics of unfolded peptides, while the conformational behavior and flexibility of folded peptides remained intact. [37] MB model.
Both implicit and explicit memory are types of long-term memory, which is defined by the transfer of information from short-term memory into long-term storage in order to create enduring memories ...
In numerical analysis, the Runge–Kutta methods (English: / ˈ r ʊ ŋ ə ˈ k ʊ t ɑː / ⓘ RUUNG-ə-KUUT-tah [1]) are a family of implicit and explicit iterative methods, which include the Euler method, used in temporal discretization for the approximate solutions of simultaneous nonlinear equations. [2]
Implicit bias entails the thoughts we don’t even know we have that may manifest into prejudiced actions. Explicit bias is far more recognizable. “Explicit bias is conscious and intentionally ...