| Amber 2021 DA Case, HM Aktulga, K Belfon, I Ben-Shalom, SR Brozell, DS Cerutti, ... University of California, San Francisco, 2021 | 5776 | 2021 |
| AmberTools DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWD Cruzeiro, ... Journal of chemical information and modeling 63 (20), 6183-6191, 2023 | 427 | 2023 |
| 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 | 178 | 2017 |
| 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 | 138 | 2016 |
| Reactive molecular dynamics simulation on the disintegration of Kapton, POSS polyimide, amorphous silica, and teflon during atomic oxygen impact using the ReaxFF reactive force … A Rahnamoun, ACT Van Duin The Journal of Physical Chemistry A 118 (15), 2780-2787, 2014 | 130 | 2014 |
| 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 | 46 | 2019 |
| 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 | 46 | 2018 |
| 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 | 27 | 2020 |
| 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 | 22 | 2022 |
| Erosion of spacecraft metals due to atomic oxygen: A molecular dynamics simulation LS Morrissey, SM Handrigan, S Nakhla, A Rahnamoun Journal of Spacecraft and Rockets 56 (4), 1231-1236, 2019 | 18 | 2019 |
| Ionic environment affects bacterial lipopolysaccharide packing and function A Rahnamoun, K Kim, JA Pedersen, R Hernandez Langmuir 36 (12), 3149-3158, 2020 | 15 | 2020 |
| 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 | 14 | 2020 |
| Amber 2021 A Onufriev, F Pan, S Pantano, R Qi, A Rahnamoun, DR Roe, A Roitberg, ... University of California: San Francisco, 2021 | 10 | 2021 |
| 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 | 9 | 2022 |
| Study of ice cluster impacts on amorphous silica using the ReaxFF reactive force field molecular dynamics simulation method A Rahnamoun, ACT Van Duin Journal of Applied Physics 119 (9), 2016 | 5 | 2016 |
| Study of thermal conductivity of ice clusters after impact deposition on the silica surfaces using the ReaxFF reactive force field A Rahnamoun, ACT Van Duin Physical Chemistry Chemical Physics 18 (3), 1587-1594, 2016 | 5 | 2016 |
| 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 | 4 | 2020 |
| A nonlinear predictive control of processes with multiscale objectives using a fuzzy-system identification approach A Rahnamoun, A Armaou Proceedings of the 2011 American Control Conference, 4976-4981, 2011 | 4 | 2011 |
| Jax-reaxff: a gradient based framework for extremely fast optimization of reactive force fields MC Kaymak, A Rahnamoun, KA O'Hearn, ACT van Duin, KM Merz Jr, ... | 2 | 2022 |
| Computationally Driven Discovery and Characterization of SIRT3-Activating Compounds that Fully Recover Catalytic Activity under Depletion X Guan, RK Dumpati, S Munshi, S Chall, R Bose, A Rahnamoun, ... Physical Review X 14 (4), 041019, 2024 | 1 | 2024 |
Adri van DuinDistinguished Professor of Mechanical Engineering, Penn State UniversityVerified email at psu.edu