Andrew Petersen

Works (4)

Updated: April 5th, 2024 10:51

2022 journal article

Wigner energy in irradiated graphite: A first-principles study

JOURNAL OF NUCLEAR MATERIALS, 563.

By: Z. Mei *, R. Ponciroli * & A. Petersen n

author keywords: Graphite; Wigner energy; Radiation damage; ab initio Molecular Dynamics
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Source: Web Of Science
Added: May 16, 2022

2021 journal article

Simulation-based methodology to assess the lattice defects creation as energy storing process

ANNALS OF NUCLEAR ENERGY, 165.

By: R. Ponciroli *, P. Shriwise *, Z. Mei *, N. Stauff *, A. Petersen n & P. Romano *

author keywords: Wigner effect; Energy-storing; Displacement per Atom; OpenMC Monte Carlo code; Molecular Dynamics
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Source: Web Of Science
Added: October 18, 2021

2019 journal article

Computational Estimation of Microsecond to Second Atomistic Folding Times

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 141(16), 6519–6526.

By: U. Adhikari *, B. Mostofian *, J. Copperman *, S. Subramanian n, A. Petersen n & D. Zuckerman *

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)
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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.

By: A. Petersen n & V. Gillette *

author keywords: Molecular dynamics; Graphite; Radiation damage; Interstitials; Annealing; Reactive potential
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Source: Web Of Science
Added: August 6, 2018

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