This roadmap article presents an overview of the current state of computational materials prediction, synthesis and characterization approaches, materials design needs for various technologies, and future challenges and opportunities that must be addressed.

Article presents a rigorous and systematic study of the band alignment of semiconductors in aqueous solutions by contrasting a range of hybrid explicit/implicit models against explicit atomistic simulations based on density-functional theory.

This paper from the 2016 Conference on Application of Accelerators in Research and Industry conference proceedings describes the use of a classical trajectory simulation to study the formation of an antihydrogen beam by transporting an antiproton beam through an electron-positron plasma that produces magnetobound positronium.

This article presents an analytical model and a Monte Carlo simulation of an experiment that could be used to determine the direction of the acceleration of antihydrogen due to gravity.

Article on coherent control of atomic excitation using off-resonant strong few-cycle pulses.

This article discusses complex materials for molecular spintronics applications.

This article describes a proposed antihydrogen gravity experiment that could be conducted at the CERN Antiproton Decelerator facility to determine the directionality of the acceleration of antihydrogen in earth’s gravitational field.

This article reports that the resistance of a chemical vapor deposition (CVD) grown graphene film transferred onto an SiO₂ substrate increases to higher saturation values upon exposure to light of decreasing wavelength from the visible to ultraviolet.

This article presents the Automatic Anharmonic Phonon Library.

This article proposes an electrostatic mechanism for enhancement of light radiated from semiconductor emitter which is comparable in effect to plasmonic mechanism.

This article reports on the second installment of an X-ray monitoring project of seven luminous radio-quiet quasars (RQQs).

The article focuses on a study of an electron-positron plasma in thermal equilibrium within a uniform magnetic field using a classical trajectory Monte Carlo simulation. The cross-magnetic-field single-particle diffusion coefficient is evaluated as a function of the magnetic field strength and plasma temperature. The transport rate is found to increase by many orders of magnitude as the plasma temperature is lowered, for a magnetic field strength of 1 T. The sharp dependence on temperature is due to electrons and positrons becoming temporarily correlated and drifting across the magnetic field before dissociating.

Article describes an experiment in which a Ge metal-oxide-semiconductor (MOS) capacitor based on HfGdON/Ge gate stacks with an ALD-driven passivation layer was fabricated, and compares it's interfacial and electrical properties with those of its counterparts that have not undergone passivation treatment.

In this article, the authors study a set of cooperatively interacting units at criticality, and prove with analytical and numerical arguments that they generate the same renewal non-Poisson intermittency as that produced by blinking quantum dots.

Article on the observation of picosecond superfluorescent pulses in rubidium atomic vapor pumped by 100-fs laser pulses.

Article describes study which examines backward cooperative emissions from a dense sodium atomic vapor.

This paper addresses the dynamics of two indistinguishable interacting particles moving on a dynamical percolation graph.

This paper from the 2016 Conference on Application of Accelerators in Research and Industry conference proceedings describes an attempt to observe an atomic bismuth monolayer with Rutherford backscattering to demonstrate the surface concentration of the bismuth over the alloy in the bulk.

This article presents the CIV BLR size and luminosity relation over eight orders of magnitude in luminosity, pushing the luminosity limit to its highest point so far.

This article studies silica-gold core-shell microspheres with plasmonic fractal shells to show that the forward scattering of the silica microspheres is strongly suppressed.

Article presents the simulations of an electrostatic quadrupole quadruplet (EQQ) lens system that will be used in a new sub-micron multi-ion beam for radiobiological studies.

In this article, a numerical study is reported on the equilibrium properties of a surface-emitted or edge-confined non-drifting plasma. A self-consistent finite-differences evaluation of the electrostatic potential is carried out for a non-neutral plasma that follows a Boltzmann density distribution.