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Quantum Matters in Materials Science (QMMS) Workshop

NIST Quantum Matters in Materials Science (Shutterstock)
Credit: Shutterstock Stock Illustration ID: 1052481413

As part of the JARVIS workshops series, on Jan 31-Feb 1, 2023, NIST is organizing the 2nd QMMS workshop. The workshop will be focused on quantum phenomena in emerging materials for next generation devices. All materials are inherently quantum in nature, but only when quantum phenomena manifest at the classical scale can we hope to leverage their properties for applications. The Materials Genome Initiative represents a compelling approach to investigate quantum materials and accelerate their development for quantum information systems (QIS) or other practical industrial applications. In order for this approach to be successful, it is essential to have good synergy between experimental and computational work. This workshop aims at streamlining this effort. To make the workshop as effective as possible, we plan to mainly focus on 2D and 3D inorganic superconductor, topological, magnetic and electronic materials, but we are not limited to those systems.

Some of the key topics to be addressed by both theory and experiments are:
1) discovery and characterization of new superconductors/topological, magnetic and semiconducting materials,
2) optimization of known quantum materials,
3) investigation of defect induced behavior and transitions,
4) Electronics, spintronics, and quantum memory applications,
5) challenges in applying QIS technologies at industrial scale,
6) Higher order many-body computational methods to treat quantum materials.

Call for Abstracts

If registered participants are interested in presenting a short (~15 minute) lightning talk, please send name, affiliation, title, and abstract to daniel.wines [at] nist.gov no later than 12/2/2022.

Confirmed invited speakers

Paul Kent (Oak Ridge National Lab)

Nicola Marzari (EPFL)

Karin Rabe (Rutgers)

Panchapakesan Ganesh (Oak Ridge National Lab)

Can Ataca (University of Maryland Baltimore County)

Marco Bernardi (Caltech)

Prineha Narang (UCLA)

Venkatraman Gopalan (Penn State)

Judy Cha (Cornell)

Patrick Vora (George Mason)

Sobhit Singh (Rochester)

Barbara Jones (IBM)

Giulia Galli (University of Chicago)

Diana Qiu (Yale)

 

Day 1

Start Time 

End 
Time 

Session Name  

Session Information 

10:00

10:30

Introduction/Opening remarks

Mark VanLandingham and Francesca Tavazza.

10:30

12:30

Invited Talks I

Each talk will be 30 minutes (including Q and A). Moderator: Francesca Tavazza

10:30

11:00

Nicola Marzari

École Polytechnique Fédérale de Lausanne

Title: Searching for that needle in the haystack - combing databases for topological materials, superconductors, and spintronics devices

11:00

11:30

Patrick Vora

George Mason University

Title: Novel Excitons in MoSe2 from Proximitized Charge Density Waves

11:30

12:00

Sobhit Singh

University of Rochester

Title: Warming up superconductivity in two-dimensions by rational materials design

12:00

12:30

Daniel Wines

NIST

Title: Utilizing the JARVIS Infrastructure to Discover and Accurately Characterize Next-generation Quantum Materials

12:30

1:00

Lunch

Break

1:00

3:00

Invited Talks II

Each talk will be 30 minutes (including Q and A). Moderator: Daniel Wines

1:00

1:30

Paul Kent

ORNL

Title: Fully ab initio many-body methods for quantum materials

1:30

2:00

Panchapakesan Ganesh

ORNL

Title: Understanding phase transitions in correlated quantum materials

2:00

2:30

Diana Qiu

Yale University

Title: Exploring Dynamical Many-body Effects on Optoelectronic Properties of Low-Dimensional Materials

2:30

3:00

Can Ataca

University of Maryland Baltimore County

Modelling 2D materials at Chemical Accuracy

3:00

3:15

Break

 

3:15

4:30

Panel Discussion:

Venkatraman Gopalan

Diana Qiu

Barbara Jones

Sobhit Singh

Selected speakers will discuss with one another and engage with audience. Moderator: Daniel Wines

Day 2

Start Time 

End 
Time 

Session Name  

Session Information 

10:00

12:00

Invited Talks III

Each talk will be 30 minutes (including Q and A). Moderator: Kevin Garrity

10:00

10:30

Giulia Galli

University of Chicago

Title: Materials for quantum technologies through a first principles lens

10:30

11:00

Marco Bernardi

Caltech

Title: Advances in First-Principles Calculations of Electron and Spin Dynamics in Quantum Materials

11:00

11:30

Prineha Narang

UCLA

Title: Predicting and probing carrier interactions in quantum matter using electron hydrodynamics

11:30

12:00

Barbara Jones

IBM

Title: Simulation of some Open Quantum Systems on Near-term Quantum Computers

12:00

12:30

Lunch

Break

12:30

2:30

Invited Talks IV

Each talk will be 30 minutes (including Q and A). Moderator: Kamal Choudhary

12:30

1:00

Karin Rabe

Rutgers University

Title: Challenges and Progress in Experimental-theoretical Integration for Quantum Materials

1:00

1:30

Venkatraman Gopalan

Penn State University

Title: Large Itinerant Electron Exchange Coupling between Localized Spins and Topological Bands in a Magnetic Topological Insulator

1:30

2:00

Judy Cha

Cornell University

Title: 1D topological systems for next-generation electronics

2:00

2:30

Paul Haney

NIST

Title: A Quantum Ruler for Topology and Quantum Geometry in Moiré Superlattices

2:30

2:45

Break

 

2:45

4:50

Lightning Talks

Contributed lightning talks, 10 minutes each (including questions). We will use a slide master for all. Moderator and slide master: Ramya Gurunathan

2:45

2:55

Jorge I. Facio

CONICET

Title: Spin-split collinear antiferromagnets: a large-scale ab-initio study

2:55

3:05

Fatih Ersan

Aydın Adnan Menderes University

Title: Two-dimensional double ordered Mxenes, their electronic and magnetic properties

3:05

3:15

Kayahan Saritas

ORNL

Title: Piezoelectric ferromagnetism in two-dimensional materials via computational materials screening

3:15

3:25

Michele Pizzochero

Harvard University

Title: Chemistry and Magnetism Meet at the Zigzag Edges of Graphene

3:25

3:35

Erol Vatansever

Dokuz Eylul University

Title: Quantum Monte Carlo simulation of the three dimensional quantum Heisenberg antiferromagnet with quenched random bond

3:35

3:45

Akram Ibrahim

University of Maryland Baltimore County

Title: Experimental and theoretical studies of the surface oxidation process of Rare-Earth Tritellurides

3:45

3:55

Susanne Leitherer

Copenhagen University

Title: Electromigration forces on atoms

3:55

4:05

Ulvi Kanbur

Karabuk University

Title: Two-leg Quantum Spin Ladders with Bimodal Distribution

4:05

4:15

Martin Ganahl

Sandbox Quantum

Title: The Promise of Tensor Processing Units to Perform Large Scale Quantum Simulations

4:15

4:25

Manel Mabrouk

University of Warsaw

Title: Adsorption of 4d and 5d TM-Pc molecules on graphene: First principles
calculations

4:25

4:35

Elizabeth Peterson

LANL

Title: Ab initio calculations of the dielectric function of quantum materials for light dark matter detection

 

 

Closing Remarks

 

 

 

Created October 18, 2022, Updated January 30, 2023