Nanotechnology Now

Our NanoNews Digest Sponsors





Heifer International

Wikipedia Affiliate Button


android tablet pc

Home > Press > Quantum computers could excel in modeling chemical reactions: Futuristic devices would likely outperform conventional computers in chemical simulation

Abstract:
Quantum computers would likely outperform conventional computers in simulating chemical reactions involving more than four atoms, according to scientists at Harvard University, the Massachusetts Institute of Technology, and Haverford College. Such improved ability to model and predict complex chemical reactions could revolutionize drug design and materials science, among other fields.

Quantum computers could excel in modeling chemical reactions: Futuristic devices would likely outperform conventional computers in chemical simulation

Cambridge, MA | Posted on November 24th, 2008

Writing in the Proceedings of the National Academy of Sciences, the researchers describe "software" that could simulate chemical reactions on quantum computers, an ultra-modern technology that relies on quantum mechanical phenomena, such as entanglement, interference, and superposition. Quantum computing has been heralded for its potential to solve certain types of problems that are impossible for conventional computers to crack.

"There is a fundamental problem with simulating quantum systems -- such as chemical reactions -- on conventional computers," says Alán Aspuru-Guzik, assistant professor of chemistry and chemical biology in Harvard's Faculty of Arts and Sciences. "As the size of a system grows, the computational resources required to simulate it grow exponentially. For example, it might take one day to simulate a reaction involving 10 atoms, two days for 11 atoms, four days for 12 atoms, eight days for 13 atoms, and so on. Before long, this would exhaust the world's computational power."

Unlike a conventional computer, Aspuru-Guzik and his colleagues say, a quantum computer could complete the steps necessary to simulate a chemical reaction in a time that doesn't increase exponentially with the reaction's complexity.

"Being able to predict the outcomes of chemical reactions would have tremendous practical applications," says Ivan Kassal, a graduate student in chemical physics at Harvard. "A lot of research in drug design, materials science, catalysis, and molecular biology is still done by trial and error. Having accurate predictions would change the way these types of science are done."

The researchers demonstrate in PNAS that quantum computers would need to attain a size of about 100 qubits -- which are to quantum computers as bits are to conventional computers -- to outperform current classical supercomputers at a chemical simulation.

"This is still far beyond current prototype quantum computers," Kassal says. "And although it might take millions of quantum elementary operations on a few hundred quantum bits, our work suggests that with quantum computers that are as fast as modern conventional computers, one could simulate in seconds a chemical reaction that would take a conventional computer years."

Rather than using binary bits labeled as "zero" and "one" to encode data, as in a conventional computer, quantum computing stores information in qubits, which can represent both "zero" and "one" simultaneously. When a quantum computer is put to work on a problem, it considers all possible answers by simultaneously arranging its qubits into every combination of "zeroes" and "ones."

Since one sequence of qubits can represent many different numbers, a quantum computer would make far fewer computations than a conventional one in solving some problems. After the computer's work is done, a measurement of its qubits provides the answer.

Aspuru-Guzik and Kassal's co-authors on the PNAS paper are Stephen P. Jordan of MIT, Peter J. Love of Haverford College, and Masoud Mohseni of Harvard. The work was sponsored by the Army Research Office and the Joyce and Zlatko Balokovic Scholarship.

####

For more information, please click here

Contacts:
Steve Bradt

617-496-8070

Copyright © Harvard University

If you have a comment, please Contact us.

Issuers of news releases, not 7th Wave, Inc. or Nanotechnology Now, are solely responsible for the accuracy of the content.

Bookmark:
Delicious Digg Newsvine Google Yahoo Reddit Magnoliacom Furl Facebook

Related News Press

News and information

Iran to Hold 3rd Int'l Engineering Materials, Metallurgy Conference October 25th, 2014

Haydale Secures Exclusive Development and Supply Agreement with Tantec A/S: New reactors to be built and commissioned by Tantec A/S represent another step forward towards the commercialisation of graphene October 24th, 2014

QuantumWise guides the semiconductor industry towards the atomic scale October 24th, 2014

SUNY Polytechnic Institute Invites the Public to Attend its Popular Statewide 'NANOvember' Series of Outreach and Educational Events October 23rd, 2014

Strengthening thin-film bonds with ultrafast data collection October 23rd, 2014

Chemistry

Iranian, Malaysian Scientists Study Nanophotocatalysts for Water Purification October 23rd, 2014

Could I squeeze by you? Ames Laboratory scientists model molecular movement within narrow channels of mesoporous nanoparticles October 21st, 2014

Quantum Computing

1980s aircraft helps quantum technology take flight October 20th, 2014

Australian teams set new records for silicon quantum computing October 12th, 2014

Ultrafast remote switching of light emission October 2nd, 2014

Quantum environmentalism: Putting a qubit's surroundings to good use October 2nd, 2014

Discoveries

QuantumWise guides the semiconductor industry towards the atomic scale October 24th, 2014

Iranian, Malaysian Scientists Study Nanophotocatalysts for Water Purification October 23rd, 2014

Nanoparticle technology triples the production of biogas October 23rd, 2014

Strengthening thin-film bonds with ultrafast data collection October 23rd, 2014

Announcements

Iran to Hold 3rd Int'l Engineering Materials, Metallurgy Conference October 25th, 2014

Haydale Secures Exclusive Development and Supply Agreement with Tantec A/S: New reactors to be built and commissioned by Tantec A/S represent another step forward towards the commercialisation of graphene October 24th, 2014

QuantumWise guides the semiconductor industry towards the atomic scale October 24th, 2014

Strengthening thin-film bonds with ultrafast data collection October 23rd, 2014

NanoNews-Digest
The latest news from around the world, FREE





  Premium Products
NanoNews-Custom
Only the news you want to read!
 Learn More
NanoTech-Transfer
University Technology Transfer & Patents
 Learn More
NanoStrategies
Full-service, expert consulting
 Learn More














ASP
Nanotechnology Now Featured Books




NNN

The Hunger Project







© Copyright 1999-2014 7th Wave, Inc. All Rights Reserved PRIVACY POLICY :: CONTACT US :: STATS :: SITE MAP :: ADVERTISE