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Mehmet Cagri Kaymak

3 results in Authors: Mehmet Cagri Kaymak

Theoretical and Computational Chemistry

A Polarizable Cationic Dummy Metal Ion Model

Ali Rahnamoun, Kurt A. O'Hearn, Mehmet Cagri Kaymak, Zhen Li, Kenneth M. Merz, Jr., Hasan Metin Aktulga

Version 1 posted 24 January 2022

406

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Materials Science

Shadow Molecular Dynamics with a Machine Learned Flexible Charge Potential

Cheng-Han Li, Mehmet Cagri Kaymak, Maksim Kulichenko, Nicholas Lubbers, Benjamin Nebgen, Sergei Tretiak, Joshua Finkelstein, Daniel Tabor, Anders Niklasson

Version 1 posted 16 January 2025

366

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Theoretical and Computational Chemistry

JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields

Mehmet Cagri Kaymak, Ali Rahnamoun, Kurt A. O'Hearn, Adri C. T. van Duin, Kenneth M. Merz Jr., Hasan Metin Aktulga

Version 2 posted 03 January 2022

2,672

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1

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