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Archive for the 'Computational nanotechnology' Category

Assembling a large, stable, icosahedral protein molecular cage

Posted by Jim Lewis on September 9th, 2016

A trimeric protein was designed to self assemble into a 60 unit icosahedron with a roomy interior that might find use to ferry molecular cargo into cells or as a chemical reactor.

Rational improvement of DNA nanodevice function

Posted by Jim Lewis on August 13th, 2016

Recent research documents a structure-based rational design strategy combining molecular dynamics and single molecule imaging to improve the performance of a DNA tweezers that accurately positions an enzyme and its cofactor.

Atomically precise location of dopants a step toward quantum computers

Posted by Jim Lewis on August 4th, 2016

Precise matching of STM images and theoretical calculations provides exact lattice locations of dopant atoms, advancing the prospects for silicon-based quantum computers.

Watching individual chemical bonds during a reaction

Posted by Jim Lewis on August 2nd, 2016

Combining computational nanotechnology with a noncontact-atomic force microscope probe tipped by a single CO molecule allowed researchers to visualize the dance of individual chemical bonds during a complex organic reaction on a silver surface.

Peptoid nanosheets assemble by different design rule

Posted by Jim Lewis on July 31st, 2016

Chains of monomers joined by non-biological peptoid bonds follow different rules of self-assembly and form structures not found in chains joined by the peptide bonds used to form proteins.

Engineered protein assembles molecules into atomically precise lattice

Posted by Jim Lewis on July 30th, 2016

An engineered protein controls the assembly of C60 fullerene molecules into an atomically precise lattice that conducts electricity while neither component alone would.

Simulation of quantum entanglement with subsurface dopant atoms

Posted by Jim Lewis on June 9th, 2016

Atomic resolution measurement of quasi-particle tunneling maps of spin-resolved states reveals interference processes that allow simulation of processes important for developing quantum computers based on atomically precise doping of silicon.

Protein design provides a novel metabolic path for carbon fixation

Posted by Jim Lewis on June 8th, 2016

Computational design of an enzyme that carboligates three one-carbon molecules to form one three-carbon molecule, an activity that does not exist in nature, provides proof-of-principle for a novel metabolic pathway for carbon fixation.

Crowd-sourced RNA structure design uncovers new insights

Posted by Jim Lewis on March 12th, 2016

Thousands of amateurs playing the online RNA folding game Eterna, backed up by a real-world automated lab testing their predictions, have provided insights to improve the algorithms computers use to design RNA molecules.

Multiple advances in de novo protein design and prediction

Posted by Jim Lewis on February 14th, 2016

New families of protein structures, barrel proteins for positioning small molecules, self-assembling protein arrays, and precision sculpting of protein architectures highlight de novo protein design advances.

Rational design of protein architectures not found in nature

Posted by Jim Lewis on February 11th, 2016

Computational design of proteins satisfying predetermined geometric constraints produced stable proteins with the designed structure that are not found in nature.

De novo protein design space extends far beyond biology

Posted by Jim Lewis on February 3rd, 2016

A fully automated design protocol generates dozens of designs for proteins based on helix-loop-helix-loop repeat units that are very stable, have crystal structures that match the design, have very different overall shapes, and are unrelated to any natural protein.

Conference video: Nanoscale Materials, Devices, and Processing Predicted from First Principles

Posted by Jim Lewis on January 15th, 2016

Prof. William Goddard presented four advances from his research group that enable going from first principles quantum mechanics calculations to realistic nanosystems of interest with millions or billions of atoms.

Conference video: Mythbusting Knowledge Transfer Mechanisms through Science Gateways

Posted by Jim Lewis on January 14th, 2016

Prof. Gerhard Klimeck described the success of nanoHUB.org, a science and engineering gateway providing online simulations through a web browser for nanotechnology research and education.

Electron tomography reveals precise positions of individual atoms in aperiodic material

Posted by Jim Lewis on January 11th, 2016

The positions of 3769 tungsten atoms in a tungsten needle segment were determined to a precision of 19 pm (0.019 nm), including the position of a single atom defect in the interior of the sample, by using aberration-corrected scanning transmission electron microscopy and computerized tomography.

Architecture for atomically precise quantum computer in silicon

Posted by Jim Lewis on November 9th, 2015

Building on previous work on single atom transistors and single atom qubits, Australian researchers have incorporated a quantum error correction code to make possible a scalable 3D silicon chip architecture that could lead to operational quantum computers.

Chirality-assisted synthesis a new tool for nanotechnology

Posted by Jim Lewis on October 30th, 2015

A novel application of supramolecular chemistry allows molecules to join in only one direction, providing a new way to control the shape of large molecules.

Conference video: New Methods of Exploring, Analyzing, and Predicting Molecular Interactions

Posted by Jim Lewis on October 8th, 2015

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.

Atomically precise boron doping of graphene nanoribbons

Posted by Jim Lewis on September 28th, 2015

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.

Conference video: Bringing Computational Programmability to Nanostructured Surfaces

Posted by Jim Lewis on September 11th, 2015

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.