Fluid phase transitions inside single, isolated carbon nanotubes are predicted to deviate
substantially from classical thermodynamics. This behaviour enables the study of ice …

Studies on confined water are important not only from the viewpoint of scientific interest but
also for the development of new nanoscale devices. In this work, we aimed to clarify the …

Intermolecular hydrogen bonds impede long-range (anti-) ferroelectric order of water. We
confine H2O molecules in nanosized cages formed by ions of a dielectric crystal. Arranging …

Water molecules in any of the ice polymorphs organize themselves into a perfect four-
coordinated hydrogen-bond network at the expense of dense packing. Even at high …

Water is characterized by large molecular electric dipole moments and strong interactions
between molecules; however, hydrogen bonds screen the dipole–dipole coupling and …

A polar homochiral 3D MOF [{Co2 (L)(bpe)(H2O)}· 5H2O] n constructed with cobalt (II) and a
new ligand N-(1, 3-dicarboxy-5-benzyl)-carboxymethylglycine (H4L) accommodates ordered …

Two new phases of water, the mid-density hexagonal monolayer ice and the high-density
flat rhombic monolayer ice, are observed in our molecular dynamics simulations of …

Diphenylalanine (L-Phe-L-Phe, FF) is an interesting peptide and a promising bioinspired
building block. It can readily selfassemble into various nanostructures such as …

New phase diagrams for water confined in graphene nanocapillaries and single-walled
carbon nanotubes (CNTs) are proposed, identifying ice structures, their melting points and …

Systems composed of molecular rotors are promising candidates as quantum devices. In
this work, we employ our recently developed density matrix renormalization group approach …