Ali Rahnamoun

4PUBLICATIONS
12CO-AUTHORS
Computational chemistryCondensed matter modelling and density functional theoryPolymerisation mechanisms
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Publications (4)

|Aug 18, 2022
JAX-ReaxFF: A Gradient-Based Framework for Fast Optimization of Reactive Force Fields.

Mehmet Cagri Kaymak, Ali Rahnamoun, Kurt A O'Hearn

|Jun 08, 2022
A Polarizable Cationic Dummy Metal Ion Model.

Ali Rahnamoun, Kurt A O'Hearn, Mehmet Cagri Kaymak

|Nov 03, 2020
ReaxFF/AMBER-A Framework for Hybrid Reactive/Nonreactive Force Field Molecular Dynamics Simulations.

Ali Rahnamoun, Mehmet Cagri Kaymak, Madushanka Manathunga

|Aug 14, 2020
Surface Curvature and Aminated Side-Chain Partitioning Affect Structure of Poly(oxonorbornenes) Attached to Planar Surfaces and Nanoparticles of Gold.

Ali Rahnamoun, Alyssa Deline, Joanna Zienkiewicz

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