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Mirela Puleva

Showing results (1-10 of 4) with videos related to

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Physical Chemistry Chemical Physics : PCCP|January 26, 2026
Advancing density functional tight-binding method for large organic molecules through equivariant neural networksLeonardo Medrano Sandonas, Mirela Puleva, Zekiye Erarslan, et al.
Nature Communications|September 29, 2025
Extending quantum-mechanical benchmark accuracy to biological ligand-pocket interactionsMirela Puleva, Leonardo Medrano Sandonas, Balázs D Lőrincz, et al.
Chemical Science|February 6, 2025
Crash testing machine learning force fields for molecules, materials, and interfaces: molecular dynamics in the TEA challenge 2023Igor Poltavsky, Mirela Puleva, Anton Charkin-Gorbulin, et al.
Chemical Science|February 12, 2025
Crash testing machine learning force fields for molecules, materials, and interfaces: model analysis in the TEA Challenge 2023Igor Poltavsky, Anton Charkin-Gorbulin, Mirela Puleva, et al.
Pageof 1

Showing results (1-10 of 4) with videos related to

Sort By:
Pageof 1
Physical Chemistry Chemical Physics : PCCP|January 26, 2026
Advancing density functional tight-binding method for large organic molecules through equivariant neural networksLeonardo Medrano Sandonas, Mirela Puleva, Zekiye Erarslan, et al.
Nature Communications|September 29, 2025
Extending quantum-mechanical benchmark accuracy to biological ligand-pocket interactionsMirela Puleva, Leonardo Medrano Sandonas, Balázs D Lőrincz, et al.
Chemical Science|February 6, 2025
Crash testing machine learning force fields for molecules, materials, and interfaces: molecular dynamics in the TEA challenge 2023Igor Poltavsky, Mirela Puleva, Anton Charkin-Gorbulin, et al.
Chemical Science|February 12, 2025
Crash testing machine learning force fields for molecules, materials, and interfaces: model analysis in the TEA Challenge 2023Igor Poltavsky, Anton Charkin-Gorbulin, Mirela Puleva, et al.
Pageof 1