Sodium ion batteries (SIBs) are considered the most promising battery technology in the
post‐lithium era due to the abundant sodium reserves. In the past two decades, exploring …

In the past, conventional drug discovery strategies have been successfully employed to
develop new drugs, but the process from lead identification to clinical trials takes more than …

The diffusion-limited aggregation (DLA) of metal ion (Mn+) during the repeated solid-to-
liquid (StoL) plating and liquid-to-solid (LtoS) stripping processes intensifies fatal dendrite …

The coronavirus membrane protein (M) is the most abundant viral structural protein and
plays a central role in virus assembly and morphogenesis. However, the process of M …

The new SARS-CoV-2 variant of concern “Omicron” was recently spotted in South Africa and
spread quickly around the world due to its enhanced transmissibility. The variant became …

Water solubility and structural stability are key merits for proteins defined by the primary
sequence and 3D-conformation. Their manipulation represents important aspects of the …

The oceans offer a virtually infinite source of uranium and could sustain nuclear power
technology in terms of fuel supply. However, the current processes to extract uranium from …

TURBOMOLE is a collaborative, multi-national software development project aiming to
provide highly efficient and stable computational tools for quantum chemical simulations of …

Molecular self-organization driven by concerted many-body interactions produces the
ordered structures that define both inanimate and living matter. Here we present an …

The introduction of accelerator devices such as graphics processing units (GPUs) has had
profound impact on molecular dynamics simulations and has enabled order-of-magnitude …