Materials

Quantum Computing in Chemical and Materials Sciences

  • By Burcu Ozden
  • 13 April 2018

Proposals are requested for basic experimental and theoretical research focused on using quantum computers to solve scientific problems in chemical and materials sciences. Proposals should address the Priority Research Opportunities identified in the report from the “Basic Energy Sciences Roundtable on Opportunities for Quantum Computing in Chemical and Materials Sciences.” Areas of research include: controlling the quantum dynamics of nonequilibrium chemical and materials systems; unraveling the physics and chemistry of strongly correlated electron systems; embedding quantum hardware in classical frameworks; and bridging the classical–quantum computing divide. Proposals must focus on fundamental research that will target computations on realistic problems relevant to Basic Energy Sciences priorities using quantum computers that are available today and in the near (<10 year) term. For example, quantum materials, such as superconductors and complex magnetic materials, show novel kinds of ordered phases that are difficult to access via computation on classical computers. Quantum sensors based on solid materials could be greatly improved with insight from quantum computations, as could materials for information technologies. Another example is quantum chemical dynamics, which is a problem that is intrinsically well suited to studies on quantum computers, with applications including catalysis and artificial photosynthesis. Proposals that focus solely on algorithmic advances, software tools, or on engineering and/or building quantum computers will not be responsive.

 

PPG Symposium: Innovations in Materials Chemistry

Speaker(s): 
Multiple speakers
Dates: 
Thursday, May 5, 2016 - 8:00am to Saturday, May 7, 2016 - 8:00pm

The PPG Symposium: Innovations in Materials Chemistry will run from Thursday, May 5 to Saturday, May 7 in the Chevron Science Center.

Contributing speakers include PQI members and Professors Daniel Lambrecht, Susan Fullerton, Paul Leu, and Ken Jordan, as well as graduate student Lauren Marbella.

 

Simulating grain boundaries at the atomic scale: more complicated than you think

Speaker(s): 
Stephen Foiles
Dates: 
Friday, April 29, 2016 - 11:30am to 12:30pm

The grain microstructure is well-known to have a profound influence on the properties of materials so there is great interest in the properties of grain boundaries. Atomic-scale simulations have been used to study grain boundary properties for over three decades, but there are still many unanswered questions. This reflects the complexity associated with the five geometric degrees of freedom, temperature, and alloy additions and impurities. In this talk,...

Emergent Phenomena at a Mott Insulator/Band Insulator Interface

Speaker(s): 
Yuri Suzuki
Dates: 
Friday, April 22, 2016 - 3:30pm to 4:30pm

Advances in solid-state devices have been enabled by the introduction of new materials platforms and their subsequent improvements in carrier concentration, mobility and breakdown voltages. To this end, the exploration of interfaces, where a novel functionality or phenomenon is generated at the interface of two materials that is not present in either of the bulk forms of the constituent materials, is promising. With recent developments in complex oxide thin film deposition techniques, novel ground states at perovskite oxide interfaces have been studied...