Nanotechnology Now

Our NanoNews Digest Sponsors
Heifer International



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

Chemistry

Cambridge chemists discover simple way to build bigger molecules – one carbon at a time June 6th, 2025

News and information

INRS and ELI deepen strategic partnership to train the next generation in laser science:PhD students will benefit from international mobility and privileged access to cutting-edge infrastructure June 6th, 2025

Electrifying results shed light on graphene foam as a potential material for lab grown cartilage June 6th, 2025

Quantum computers simulate fundamental physics: shedding light on the building blocks of nature June 6th, 2025

A 1960s idea inspires NBI researchers to study hitherto inaccessible quantum states June 6th, 2025

Quantum Computing

Quantum computers simulate fundamental physics: shedding light on the building blocks of nature June 6th, 2025

Magnetism in new exotic material opens the way for robust quantum computers June 4th, 2025

A new study provides insights into cleaning up noise in quantum entanglement:When it comes to purifying quantum entanglement, new theoretical work highlights the importance of tailoring noise-minimizing solutions to specific quantum systems May 16th, 2025

Programmable electron-induced color router array May 14th, 2025

Discoveries

Researchers unveil a groundbreaking clay-based solution to capture carbon dioxide and combat climate change June 6th, 2025

Cambridge chemists discover simple way to build bigger molecules – one carbon at a time June 6th, 2025

Electrifying results shed light on graphene foam as a potential material for lab grown cartilage June 6th, 2025

A 1960s idea inspires NBI researchers to study hitherto inaccessible quantum states June 6th, 2025

Announcements

INRS and ELI deepen strategic partnership to train the next generation in laser science:PhD students will benefit from international mobility and privileged access to cutting-edge infrastructure June 6th, 2025

Electrifying results shed light on graphene foam as a potential material for lab grown cartilage June 6th, 2025

Quantum computers simulate fundamental physics: shedding light on the building blocks of nature June 6th, 2025

A 1960s idea inspires NBI researchers to study hitherto inaccessible quantum states June 6th, 2025

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




  Premium Products
NanoNews-Custom
Only the news you want to read!
 Learn More
NanoStrategies
Full-service, expert consulting
 Learn More











ASP
Nanotechnology Now Featured Books




NNN

The Hunger Project