Articles with "quantum mechanically" as a keyword



Singularity attenuation with quantum‐mechanically revisited metric tensor

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Published in 2024 at "Astronomische Nachrichten"

DOI: 10.1002/asna.20240003

Abstract: The space and initial singularities are reexamined in the most reliable solutions to the Einstein's field equations (EFE), that is, the Einstein–Gilbert–Straus (EGS) metric. In discretized Finsler geometry, additional curvatures and thereby geometric structures likely… read more here.

Keywords: singularity attenuation; tensor; quantum mechanically; geometry ... See more keywords

Accurate Quantum-Mechanically Derived Force-Fields through a Fragment-Based Approach: Balancing Specificity and Transferability in the Prediction of Self-Assembly in Soft Matter.

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Published in 2022 at "Journal of chemical theory and computation"

DOI: 10.1021/acs.jctc.2c00747

Abstract: The wide range of time/length scales covered by self-assembly in soft matter makes molecular dynamics (MD) the ideal candidate for simulating such a supramolecular phenomenon at an atomistic level. However, the reliability of MD outcomes… read more here.

Keywords: assembly soft; self assembly; mechanically derived; force ... See more keywords