Prof. Art Olson discussed how we understand what we cannot see directly, how we integrate data from different sources, and how to develop software tools to move forward.
Archive for the 'Computational nanotechnology' Category
The ability to dope graphene nanoribbons with boron atoms to atomic precision opens a range of possible new applications, from chemical sensing to nanoelectronics to photocatalysis to battery electrodes.
Dr. Alex Wissner-Gross surveyed the interplay between programmability of bits and atoms in the development of technology, asking how the recent successes with programming bits can help nanotechnology progress in programming atoms.
Analysis of multiple diffraction images provides high contrast, high quality, full field 3D imaging of surfaces illuminated by extreme ultraviolet photons from a tabletop laser.
A new set of design rules enables constructing any wireframe nanostructure, which may lead to new medical applications and new nanomachines.
Modeling DNA strand displacement cascades according to three simple rules can in principle mimic the temporal dynamics of any other chemical system, presenting a method to model regulatory networks even more complicated than those of biology.
Designing and building spiroligomers, robust building blocks of various 3D shapes made from unnatural amino acids, decorated with various functional groups, and linked rigidly together by pairs of bonds, and a new approach to nanotechnology design software.
Density functional theory calculations of the electronic properties of double-walled carbon nanotubes (DWCNTs) comprising two concentric zigzag tubes of different chiralities reveal complex effects upon the electronic band gap, identifying candidate combinations for diverse applications from transistors to macroscopic conducting wires.
A combination of techniques has made possible the expansion of problems that can be handled by first-principles molecular dynamics from a few hundred atoms to a very large system containing 32,768 atoms.
At the 2013 Conference Dean Astumian contrasted macroscopic machines at static equilibrium and molecular machines at dynamic equilibrium, and presented information ratchets and microscopic reversibility as the organizing principle of molecular machines.
At the 2013 Conference Gerhard Klimeck presented the work of his computational nanotechnology network modeling nanoelectronic devices, using simulations of multi-million atom domains to understand the function of single atom devices embedded in larger nanostructures.
A new form of carbon produced by very slowly releasing benzene compressed at 200,000 times atmospheric pressure may be the strongest material possible.
The Theory Prize was given for research into diamond nanoparticles; the Experimental Prize was given for development of scanning tunneling microscope (STM) technology.
Design and computational simulation of amyloid proteins of diverse functions from diverse sources enable the self-assembly of proteins that could provide scaffolds for diverse applications.
Bulk nanoscale technologies were used to create three-segment nanowires of gold and nickel, and magnetic bearings of gold, nickel, and chromium. Combinations of DC and AC electric fields were used to assemble nanomotors that can spin at speeds up to 18,000r.p.m., and for up to 15 hours.
Computational simulations demonstrate that pentagonal tiling to give a variant of graphene based on pentagons rather than on hexagons is dynamically, thermally, and mechanically stable.
New software makes it possible to generate 3D structures of proteins without artificially incorporating metal atoms in the proteins, making it possible to study many molecular machines using data that could not previously be analyzed.
A more general computational framework predicts the structures of 2D and 3D-curved DNA nanostructures impossible to predict using previously available computational methods. May lead to 3D-printing DNA nanostructures?
Design principles have been developed and tested to construct novel synthetic protein monomers that can self-assemble into large, open protein cages for potential use in vaccines and drug delivery.
Advances in the de novo design of coiled-coil proteins made by two different research groups proceeding by two different routes demonstrate that the range of protein nanostructures potentially available for various molecular machine systems is significantly larger than the range of such structures already exploited by natural selection.