Articles with public access mandates - Ali RahnamounLearn more
Not available anywhere: 2
ReaxFF Reactive Force-Field Study of Molybdenum Disulfide (MoS2)
A Ostadhossein, A Rahnamoun, Y Wang, P Zhao, S Zhang, VH Crespi, ...
The journal of physical chemistry letters 8 (3), 631-640, 2017
Mandates: US National Science Foundation, US Department of Defense
The effect of atomic oxygen flux and impact energy on the damage of spacecraft metals
LS Morrissey, A Rahnamoun, S Nakhla
Advances in Space Research 66 (6), 1495-1506, 2020
Mandates: Natural Sciences and Engineering Research Council of Canada
Available somewhere: 9
AmberTools
DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWD Cruzeiro, ...
Journal of chemical information and modeling 63 (20), 6183-6191, 2023
Mandates: US National Science Foundation, US National Institutes of Health, National …
Atomistic-scale simulations of defect formation in graphene under noble gas ion irradiation
K Yoon, A Rahnamoun, JL Swett, V Iberi, DA Cullen, IV Vlassiouk, ...
ACS nano 10 (9), 8376-8384, 2016
Mandates: US Department of Energy
Chemical dynamics characteristics of Kapton polyimide damaged by electron beam irradiation
A Rahnamoun, DP Engelhart, S Humagain, H Koerner, E Plis, ...
Polymer 176, 135-145, 2019
Mandates: US Department of Defense
Using an environmentally-relevant panel of Gram-negative bacteria to assess the toxicity of polyallylamine hydrochloride-wrapped gold nanoparticles
JT Buchman, A Rahnamoun, KM Landy, X Zhang, AM Vartanian, ...
Environmental Science: Nano 5 (2), 279-288, 2018
Mandates: US National Science Foundation, US National Institutes of Health
ReaxFF/AMBER—a framework for hybrid reactive/nonreactive force field molecular dynamics simulations
A Rahnamoun, MC Kaymak, M Manathunga, AW Götz, ACT Van Duin, ...
Journal of chemical theory and computation 16 (12), 7645-7654, 2020
Mandates: US National Science Foundation, US National Institutes of Health
JAX-ReaxFF: a gradient-based framework for fast optimization of reactive force fields
MC Kaymak, A Rahnamoun, KA O’Hearn, ACT Van Duin, KM Merz Jr, ...
Journal of Chemical Theory and Computation 18 (9), 5181-5194, 2022
Mandates: US National Science Foundation, US National Institutes of Health
Ionic environment affects bacterial lipopolysaccharide packing and function
A Rahnamoun, K Kim, JA Pedersen, R Hernandez
Langmuir 36 (12), 3149-3158, 2020
Mandates: US National Science Foundation
A polarizable cationic dummy metal ion model
A Rahnamoun, KA O’Hearn, MC Kaymak, Z Li, KM Merz Jr, HM Aktulga
The Journal of Physical Chemistry Letters 13 (23), 5334-5340, 2022
Mandates: US National Science Foundation, US National Institutes of Health
Surface curvature and aminated side-chain partitioning affect structure of poly (oxonorbornenes) attached to planar surfaces and nanoparticles of gold
A Rahnamoun, A Deline, J Zienkiewicz, R Bei, Z Zheng, Z Rosenzweig, ...
Langmuir 36 (35), 10412-10420, 2020
Mandates: US National Science Foundation
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