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Works (4)
Updated: April 5th, 2024 10:51
2022 journal article
Simulation-based methodology to assess the lattice defects creation as energy storing process
ANNALS OF NUCLEAR ENERGY, 165.
author keywords: Wigner effect; Energy-storing; Displacement per Atom; OpenMC Monte Carlo code; Molecular Dynamics
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Source: Web Of Science
Added: October 18, 2021
2022 journal article
Wigner energy in irradiated graphite: A first-principles study
JOURNAL OF NUCLEAR MATERIALS, 563.
author keywords: Graphite; Wigner energy; Radiation damage; ab initio Molecular Dynamics
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Source: Web Of Science
Added: May 16, 2022
2019 journal article
Computational Estimation of Microsecond to Second Atomistic Folding Times
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 141(16), 6519–6526.
MeSH headings : Computer Graphics; Molecular Dynamics Simulation; Protein Conformation; Protein Folding; Time Factors
TL;DR:
The folding of atomistic, implicitly solvated protein systems with folding times τ ranging from ∼10 μs to ∼100 ms using the weighted ensemble (THE AUTHORS) strategy in combination with GPU computing suggests that the use of force fields and solvent models for precise estimation of kinetic quantities is becoming feasible.
(via Semantic Scholar)
doi.org (repository)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Source: Web Of Science
Added: April 20, 2020
2018 journal article
High-temperature annealing of graphite: A molecular dynamics study
JOURNAL OF NUCLEAR MATERIALS, 503, 157–163.
author keywords: Molecular dynamics; Graphite; Radiation damage; Interstitials; Annealing; Reactive potential
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
11. Sustainable Cities and Communities
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
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