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.

Article discussing research on L- and M-shell x-ray production cross sections of Nd, Gd, Ho, Yb, Au, and Pb by 25-MeV carbon and 32-MeV oxygen ions.

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 describes how ARKENSTONE is a new model for multiphase, stellar feedback-driven galactic winds designed for inclusion in coarse resolution cosmological simulations. In this first paper of a series, the authors describe the features that allow ARKENSTONE to properly treat high specific energy wind components and demonstrate them using idealized non-cosmological simulations of a galaxy with a realistic circumgalactic medium (CGM) using the AREPO code.

Article describes how biophotons are an ultra-weak emission of photons in the visible energy range from living matter. The authors study the emission from germinating seeds using an experimental technique designed to detect light of extremely small intensity.

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 is a response to a comment on the authors' original article "Disentangling Orbital and Valley Hall Effects in Bilayers of Transition Metal Dichalcogenides." The authors' response concludes that they do not believe the main points of the original Letter are affected by the Comment.

Paper discussing the detection of invisible and crucial events.

Article describes how metal-organic frameworks with mobile charges have attracted significant attention due to their potential application in photoelectric devices, chemical resistance sensors, and catalysis. The authors report the mechanisms of photoinduced charge transport and electron dynamics in the conductive 2D M−HHTP MOFs and their correlation with photoconductivity using the combination of time-resolved terahertz spectroscopy, optical transient absorption spectroscopy, X-ray transient absorption spectroscopy, and density functional theory calculations.

This article discusses effective dielectric constants of photonic crystal of aligned anisotropic cylanders and the optical response of a periodic array of carbon nanotubes.

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 discusses electron localization in a two-channel tight-binding model with correlated disorder.

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).

Article on first-principles investigations of the dielectric properties of polypropylene/metal-oxide interfaces. Nanoscale-resolved dielectric properties of polypropylene/metal-oxide (alumina, PbTiO₃) interfaces and of the corresponding surfaces are investigated via first-principles calculations.

Article describes how the processes responsible for the assembly of cold and warm gas in early-type galaxies (ETGs) are not well understood. The authors report on the multiwavelength properties of 15 non-central, nearby ETGs primary through Multi-Unit Spectroscopic Explorer (MUSE) and Chandra X-ray observations, to address the origin of their multiphase gas.

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.

Article discussing K-shell x-ray production by 0.5-2.5-MeV ₄⁹Be+ ions incident upon selected elements from fluorine to potassium.