オープン アクセス

First principles dynamics and minimum energy pathways for mechanochemical ring opening of cyclobutene

MT Ong, J Leiding, H Tao, AM Virshup, TJ Martínez

Journal of the American Chemical Society 131 (18), 6377-6379, 2009

委任: US National Institutes of Health

Shockwave properties of SWIFT silicone foams

DM Dattelbaum, MN Lee, RC Huber, JD Coe, JA Leiding, LL Gibson, ...

AIP Conference Proceedings 2844 (1), 2023

委任: US Department of Energy

Uncertainty quantified reactant and product equation of state for Composition B

RB Jadrich, BA Lindquist, JA Leiding, TD Aslam

AIP Conference Proceedings 2844 (1), 2023

委任: US Department of Energy

一般公開: 21 件

A generalized force-modified potential energy surface for mechanochemical simulations

G Subramanian, N Mathew, J Leiding

The Journal of chemical physics 143 (13), 2015

委任: US Department of Energy

[PDF] aip.org

Magpie: A new thermochemical code

C Ticknor, SA Andrews, JA Leiding

AIP Conference Proceedings 2272 (1), 2020

委任: US Department of Energy

[PDF] aps.org

Laser-driven production of the antihydrogen molecular ion

MC Zammit, M Charlton, S Jonsell, J Colgan, JS Savage, DV Fursa, ...

Physical Review A 100 (4), 042709, 2019

委任: US National Science Foundation, US Department of Energy, Australian Research …

Equations of state for polyethylene and its shock-driven decomposition products

KA Maerzke, JD Coe, C Ticknor, JA Leiding, J Tinka Gammel, CF Welch

Journal of Applied Physics 126 (4), 2019

委任: US Department of Energy

Reactive Monte Carlo sampling with an ab initio potential

J Leiding, JD Coe

The Journal of Chemical Physics 144 (17), 2016

委任: US Department of Energy

Shock to detonation transition of pentaerythritol tetranitrate (PETN) initially pressed to 1.65 g/cm3

TD Aslam, CA Bolme, KJ Ramos, MJ Cawkwell, C Ticknor, MA Price, ...

Journal of Applied Physics 130 (2), 2021

委任: US Department of Energy

Accelerating Ab Initio Simulation via Nested Monte Carlo and Machine Learned Reference Potentials

RB Jadrich, JA Leiding

The Journal of Physical Chemistry B 124 (26), 5488-5497, 2020

委任: US Department of Energy

[PDF] iop.org

A comprehensive study of the radiative properties of NO—a first step toward a complete air opacity

MC Zammit, JA Leiding, J Colgan, W Even, CJ Fontes, E Timmermans

Journal of Physics B: Atomic, Molecular and Optical Physics 55 (18), 184002, 2022

委任: US Department of Energy, US Department of Defense

[PDF] aip.org

Reactive Monte Carlo validation of thermochemical equations of state

JA Leiding, RB Jadrich, C Ticknor, SA Andrews

AIP Conference Proceedings 2272 (1), 2020

委任: US Department of Energy

[PDF] arxiv.org

First principles reactive simulation for equation of state prediction

RB Jadrich, C Ticknor, JA Leiding

The Journal of Chemical Physics 154, 244397, 2021

委任: US Department of Energy

[PDF] lanl.gov

First-Principles Simulations of CuCl in High-Temperature Water Vapor

KA Maerzke, TJ Yoon, RB Jadrich, JA Leiding, RP Currier

The Journal of Physical Chemistry B 125 (18), 4794-4807, 2021

委任: US Department of Energy

A reactive flow model for the 3, 3′-diamino-4, 4′-azoxyfurazan based plastic bonded explosive (PBX 9701)

MA Price, JA Leiding, TD Aslam, JD Coe, KJ Ramos, CA Bolme, ...

Journal of Applied Physics 130 (21), 2021

委任: US Department of Energy

Vibrational spectroscopy of shock compressed condensed phase nitrous oxide: Frequency shifts in the ν1 mode

DS Moore, JA Leiding

Journal of Applied Physics 128 (15), 2020

委任: US Department of Energy

Shockwave compression and dissociation of ammonia gas

DM Dattelbaum, JM Lang, PM Goodwin, LL Gibson, WP Gammel, JD Coe, ...

The Journal of Chemical Physics 150 (2), 2019

委任: US Department of Energy

Evaluation of the deuterium isotope effect in the detonation of aluminum containing explosives

BC Tappan, PR Bowden, VW Manner, JA Leiding, MS Jakulewicz

Propellants, Explosives, Pyrotechnics 43 (1), 62-68, 2018

委任: US Department of Energy

Energy referencing in LANL HE-EOS codes

JA Leiding, JD Coe

Los Alamos National Lab.(LANL), Los Alamos, NM (United States), 2017

委任: US Department of Energy