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We investigate ferroelectric- and resistive switching behavior in 18-nm-thick epitaxial BaTiO$_3$ (BTO) films in a model electrolyte-ferroelectric-semiconductor (EFS) configuration. The system is explored for its potential as a…
Proteins need to selectively interact with specific targets among a multitude of similar molecules in the cell. But despite a firm physical understanding of binding interactions, we lack a general theory of how proteins evolve high…
With the proposed Hund's rule correlation picture, i.e. the fluctuating Fe local moments with the As-bridged antiferromagnetic superexchange interactions, the exceptional collapsed tetragonal phase and related phase transitions observed in…
Epistatic interactions between residues determine a protein's adaptability and shape its evolutionary trajectory. When a protein experiences a changed environment, it is under strong selection to find a peak in the new fitness landscape. It…
Exploring the protein-folding problem has been a long-standing challenge in molecular biology. Protein folding is highly dependent on folding of secondary structures as the way to pave a native folding pathway. Here, we demonstrate that a…
The anomalous Hall effect (AHE) in magnetic nanofilms is highly sensitive to the microstructural and magnetic homogeneity. However, the evolution of the microstructure and morphology near the percolation threshold, and its connection to the…
Motivated by the wide ranging experimental results on the conductivity of DNA, we have investigated extraordinary configurations and chemical environments in which DNA might become a true molecular wire, perticularly from enhanced…
Structural superlubricity, one of the most important concepts in modern tribology, has attracted lots of interest in both fundamental research and practical applications. However, the underlying model, known as the Prandtl-Tomlinson (PT)…
We present a detailed study of charmless two-body B decays into final states involving two vector mesons (VV) or two axial-vector mesons (AA) or one vector and one axial-vector meson (VA), within the framework of QCD factorization, where…
The switching characteristics of ferroelectrics and multiferroics are influenced by the interaction of topological defects with domain-walls. We report on the pinning of polarization due to antiphase boundaries in thin films of the…
The capacity of proteins to interact specifically with one another underlies our conceptual understanding of how living systems function. Systems-level study of specificity in protein-protein interactions is complicated by the fact that the…
Protein-protein interactions (protein functionalities) are mediated by water, which compacts individual proteins and promotes close and temporarily stable large-area protein-protein interfaces. In their classic paper Kyte and Doolittle (KD)…
Protein-protein binding enables orderly and lawful biological self-organization, and is therefore considered a miracle of nature. Protein-protein binding is steered by electrostatic forces, hydrogen bonding, van der Waals force, and…
The ubiquitous biomacromolecule DNA has an axial rigidity persistence length of ~50 nm, driven by its elegant double helical structure. While double and multiple helix structures appear widely in nature, only rarely are these found in…
The layered oxychalcogenide semiconductor Bi$_2$O$_2$Se (BOS) hosts a multitude of unusual properties including high electron mobility. Owing to similar crystal symmetry and lattice constants, the perovskite oxide SrTiO$_3$ (STO) has been…
Protein folding and evolution are intimately linked phenomena. Here, we revisit the concept of exons as potential protein folding modules across 38 abundant and conserved protein families. Taking advantage of genomic exon-intron…
This study focuses on amorphous boron nitride ($\rm \alpha$-BN) as a novel diffusion barrier for advanced semiconductor technology, particularly addressing the critical challenge of copper diffusion in back-end-of-line (BEOL) interconnects.…
The mechanical competence and suturing ability of collagen-based membranes are paramount in Guided Bone Regeneration (GBR) therapy, to ensure damage-free implantation, fixation and space maintenance in vivo. However, contact with the…
Despite widespread interest, a detailed understanding of the dynamics of proton transfer at interfaces is lacking. Here we use ab initio molecular dynamics to unravel the connection between interfacial water structure and proton transfer…
Polyampholytes (PA) are charged polymers composed of positively and negatively charged monomers along their backbone. The sequence of the charged monomers and the bending of the chain significantly influence the conformation and dynamical…