A mixed parallel scheme that combines message passing interface (MPI) and multithreading was implemented in the AutoDock Vina molecular docking program.

The inhibitory effect of linear enantiomers of L- and D-Asp6 on the growth of calcium oxalate monohydrate crystal has been investigated using in situ atomic force microscopy.

We present a computational method for identifying partial and interfacial dislocations in atomistic models of crystals with defects.

Advances in computational methods have made it possible to elucidate ever more of hydrogen's and helium's properties. Some of these methods that have been applied in recent years, in particular, those that perform simulations directly from the physical picture of electrons and ions, such as density functional theory and quantum Monte Carlo are reviewed.

Proton imaging is commonly used to reveal the electric and magnetic fields that are found in high energy density plasmas. Presented here is an analysis of this technique that is directed towards developing additional insight into the underlying physics.

Polymer‐derived, monolithic three‐dimensional nanographene (3D‐NG) bulk material with tunable properties is produced by a simple and inexpensive approach.

This book, as a volume of the Shock Wave Science and Technology Reference Library, is primarily concerned with the fundamental theory of detonation physics in gaseous and condensed phase reactive media.

P-31 NMR data suggests that phosphates are liberated freely in the interlayer of a cobalt‐hydroxide water‐oxidation catalyst.

Nanoporous gold (np-Au) represents the fascinating class of mesoporous metals that have been intensively investigated in recent years. The current interest and the increasing number of scientific publications show that np-Au by itself is an outstanding nano-material that justifies a book devoted to all aspects of its properties and applications.

In this work, time dependent density functional theory is used to calculate the electronic excitations produced by energetic protons in Al.