Hydrogen energy-based electrochemical energy conversion technologies offer the promise
of enabling a transition of the global energy landscape from fossil fuels to renewable energy …

In silico tools, such as molecular docking, are widely applied to study interactions and
binding affinity of biological activity of proteins and peptides. However, restricted sampling of …

Molecular dynamics (MD) has evolved into a ubiquitous, versatile and powerful
computational method for fundamental research in science branches such as biology …

Carbon nanodots (CNDs) are the latest and most shining rising stars among
photoluminescent (PL) nanomaterials. These carbon-based surface-passivated …

Despite tremendous successes in the field of antibiotic discovery seen in the previous
century, infectious diseases have remained a leading cause of death. More specifically …

In recent years, various metaheuristic optimization methods have been proposed in scientific
and engineering fields. In this study, a novel physics-inspired metaheuristic optimization …

Atomic layer deposition (ALD) is an ultra-thin film deposition technique that has found many
applications owing to its distinct abilities. They include uniform deposition of conformal films …

Molecular modeling and simulations are invaluable tools for the polymer science and
engineering community. These computational approaches enable predictions and provide …

The advent of big data and algorithmic developments in the field of machine learning (and
artificial intelligence, in general) have greatly impacted the entire spectrum of physical …

A recent report from the United Nations has warned about the excessive CO2 emissions and
the necessity of making efforts to keep the increase in global temperature below 2° C …