In this potentially valuable computational study, the authors conducted extensive atomistic and coarse-grained simulations to probe the temperature-dependent phase behaviors of ELF3, a disordered ...

The success of a molecular dynamics simulation depends on the accuracy of the force field used to define the atomic interactions. It is challenging to train both classical and modern machine-learning ...

The materials have been made available under an MIT license. The materials are as-is with no liability for the author. Please provide credit if you reuse the code in ...

Heat transfer is a process of spontaneous heat exchange caused by temperature difference (Li and Liu, 2012; Zhang et al., 2022). When the heat flow passes through the solid-liquid interface, there ...

Critical events in healthcare require a rapid and coordinated approach: simulation has been demonstrated a valid technique for training in emergency. Virtual Reality (VR) is an innovative technology ...

A new technical paper titled “Modeling and Simulating Emerging Memory Technologies: A Tutorial” was published by researchers at TU Dortmund, TU Dresden, Karlsruhe Institute of Technology (KIT) and FAU ...

The α7 nicotinic acetylcholine receptor plays a central role in higher brain functions and is implicated in many neurological disorders. Yet, the therapeutic potential of nicotinic agonists targeting ...

Abstract: This paper presents an introductory tutorial based on the Simulation Exploration Experience (SEE) 2024, highlighting a collaborative effort by NASA, SISO and international academic partners ...

Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. Atomistic molecular dynamics (MD) simulations have become an indispensable tool for ...

The study presents a valuable tool for searching molecular dynamics simulation data, making such datasets accessible for open science. The authors provide convincing evidence that it is possible to ...

Abstract: In this paper, molecular dynamics (MD) simulation is chosen to model an amplitude modulation atomic force microscope (AM-AFM) using a point mass model to describe the vibrational mode of the ...