RMD_Digging is developed by the MATLAB language. It is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations performed on the LAMMPS ...

The purpose of the atom scripts and functions is to automate and enable the construction and analysis of complex and anisotropic, multicomponent molecular systems, and generate topological information ...

I am the Director of the Computer Science and Mathematics Division in the Computing and Computational Sciences Directorate at Oak Ridge National Laboratory. Computational peridynamics is a special ...

The molecular dynamics code LAMMPS was used to simulate the bombardment of a graphite structure by atomic boron with impact energies ranging from 50–250 eV. The transient structural evolution, ...

Signal-to-noise ratio (SNR) limits what we can learn from data. In fluorescence microscopy, SNR is set by the number of photons acquired from a sample and the efficiency with which these photon are ...

Relaxation in nuclear magnetic resonance is a powerful method for obtaining spatially resolved, timescale-specific dynamics information about molecular systems. However, dynamics in biomolecular ...

Cells possess a multiplicity of non-membrane-bound compartments, which form via liquid-liquid phase separation. These condensates assemble and dissolve as needed to enable central cellular functions.

The desmosome is a major cell–cell junction connecting cells in tissues under high mechanical load. Currently, while structures of the constituent cadherins are known, the desmosome architecture has ...

The Supporting Information is available free of charge on the ACS Publications website at DOI: 10.1021/acs.iecr.7b01714. MATLAB codes for analyzing the bond dissociation kinetics using the bond ...