Molecular dynamics simulations have emerged as a crucial tool for elucidating the intricate behaviour of ions in various solvents. Recent advances in ab initio techniques and hybrid quantum mechanical ...

Scientists from the Fritz Haber Institute, Sorbonne University, and Uppsala University have made a groundbreaking discovery that can help to improve our understanding of the behavior of ions in ...

A new study advances fundamental knowledge about the role of solvation in ion binding and presents a new pathway for electrochemically controlling ion selectivity. A new study by researchers at the ...

Researchers analyzed the effects of solvation and ion valency on metallopolymers, with implications for critical materials recovery and recycling, and environmental remediation. In a new paper ...

“Neutron” the cat is spying on his monovalent perrhenate mice which are stuck behind the positively charged couch. Through neutron reflectometry and ab initio molecular dynamics, insights are provided ...