The Helfrich theory of membrane bending, supported by molecular dynamics simulations, is a promising approach for evaluating ...

Understanding the natural geometry of crystals has long fascinated scientists, especially when studying how materials behave ...

Researchers have developed a new family of remarkably stable chiral molecules. This work opens up new prospects for the ...

Chirality: like a right hand and a left hand, two molecules can have the same composition, but a different shape and ...

Magnetic micropillar arrays, made from magnetic composite materials, can change their shape under a magnetic field. However, ...

The analytic gradient is derived for the frozen domain formulation of the fragment molecular orbital (FMO) method combined with the polarizable continuum model. The accuracy is tested in comparison to ...

Three NiTi alloys with different structures, singlecrystal, polycrystal and solid solution, have established by molecular dynamics method. The shape memory effect of NiTi alloys have studied under the ...

We present a molecular design of a preprogrammed supermolecule that can stabilize frustrated molecular organization of an isotropic liquid-crystalline phase. The tapered amphiphilic compound ...

These results highlight the significant role of side chain architecture on the molecular packing and hierarchical self-assembly of diblock copolypeptoids, which can be used to tune the shape, ...

From four-dimensional hexagons to the mind-bending amplituhedron, geometrical shapes are wilder than we learn at school - and they are a crucial tool for understanding reality ...