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As part of the JARVIS workshop series, the National Institute of Standards and Technology (NIST) is organizing the 4th Quantum Matters in Materials Science (QMMS) workshop in-person on Feb 19-20, 2025. The workshop will be focused on quantum phenomena in emerging materials for next generation devices. All materials are inherently quantum in nature, but when quantum phenomena manifest at the classical scale can we hope to leverage their properties for applications. Large scale initiatives such as the Materials Genome Initiative, the National Quantum Initiative, and the CHIPS for America Act represent compelling approaches to investigate quantum materials and accelerate their development for quantum information systems (QIS), for the use in future integrated circuits, and other practical industrial applications. For these approaches and initiatives to be successful, it is essential to have good synergy between experimental and computational efforts. 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 semiconducting 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) successes and challenges in integrating next-generation materials into integrated circuits (microchips),
7) the role of material interfaces at the quantum level,
8) high fidelity many-body computational methods to treat quantum materials,
9) applications for quantum computing and quantum simulations.
CALL FOR ABSTRACTS
If registered participants are interested in presenting a poster, please send name, affiliation, title, and abstract to nia.rodney-pollard [at] nist.gov (nia[dot]rodney-pollard[at]nist[dot]gov) no later than 1/31/2025.
Day 1: February 19, 2025 | |
Session 1: 9:00am – 12:30pm | |
9:00am – 9:10am | Opening Remarks: Mark VanLandingham |
9:10am – 9:20am | Overview and Logistics: Daniel Wines |
9:20am – 9:40am | Aldo Romero: From Data to Discovery: Advancing Machine Learning for Materials Science |
9:40am – 10:00am | Gerhard Klimeck: Atomistic, multi-scale, multi-physics quantum transport models for quantitative, predictive nanoscale device designs |
10:00am – 10:20am: Break/Group Photo | |
10:20am – 10:40am | Geoffroy Hautier: Finding the perfect imperfection: Accelerating the search of quantum defects using high-throughput computing |
10:40am – 11:00am | Sobhit Singh: Understanding Ferroelectric Hafnia Under Pressure: Phase Transitions and Elastic Anomalies |
11:00am – 11:20am: Break | |
11:20am – 11:40am | Steven Bennett: Hunting antiferromagnetic ordering in altermagnetic candidate RuO2 thin films |
11:40am – 12:00pm | Frank Abel: Detection of Short-Range Antiferromagnetism Through Exchange Interaction of Altermagnetic Candidate RuO2 |
12:00pm – 12:20pm | Angela Hight Walker: A Quasiparticle Soup in Layered CoTiO3: Phonons, Magnons, and Spin Orbit Excitons |
12:30pm – 1:30pm: Lunch | |
Session 2: 1:30pm – 3:10pm | |
1:30pm – 1:50pm | Andre Clayborne: Exploring Molecules and Clusters using Quantum |
1:50pm – 2:10pm | Rigoberto Hernandez: Classical to Semiclassical Transition state theory for chemical reactions in complex environments |
2:10pm – 2:30pm: Break | |
2:30pm – 2:50pm | Javier Robledo Moreno: A deep dive into Sample-Based Quantum Diagonalization methods |
2:50pm – 3:10pm | Kade Head-Marsden: Classical and quantum algorithms for spin relaxation processes |
Poster Session: 3:15pm – 5:00pm | |
Day 2: February 20, 2025 | |
Session 1: 9:00am – 12:30pm | |
9:00am – 9:20am | (Anant) M. P. Anantram: Metal coordinated DNA |
9:20am – 9:40am | Richard Hennig: AI-Accelerated Discovery of Electron-Phonon Superconductors via Deep Learning of Spectral Functions |
10:00am – 10:20am: Break | |
10:20am – 10:40am | Anders Blom: Exploring synergy between DFT and machine-learned forcefields for defect simulations |
10:40am – 11:00am | John Perdew: Exactness for all one-electron densities: the most obvious and least tractable exact constraint in density functional theory |
11:00am – 11:20am | Benjamin Geisler: Superconducting bilayer nickelates: Structural properties, optical excitations, and Fermi surface engineering via strain |
11:20am – 11:30am: Break | |
11:30am – 11:50am | Kevin O'Brien: Research Pathway to 2D TMD Semiconductor Industrialization |
11:50am – 12:10pm | Daniel Gopman: Textured spintronic materials for scalable non-volatile memory |
12:10pm –12:30pm | Deep Jariwala: 2D Materials for Next-Generation Electronics: From Low-Power Logic to Monolithic Memory |
12:30pm – 1:30pm: Lunch | |
Session 2: 1:30pm – 3:30pm | |
1:30pm – 1:45pm | Jennifer R. Soliz: DTRA and Quantum Sensors for Detection |
1:45pm – 2:05pm | Francesca Urban: Quantum phenomena in MXenes: charge- and magneto-transport |
2:05pm – 2:25pm | Venkatraman Gopalan: In-Operando Spatiotemporal Imaging of Coupled Film-Substrate Elastodynamics during an Insulatorto-Metal Transition |
2:25pm – 2:40pm: Break | |
2:40pm – 3:00pm | Ichiro Takeuchi: AI-driven search and discovery of new superconductors |
3:00pm – 3:20pm | Kartik Srinivasan: Quantum photonic integrated circuit components: progress and challenges |
3:20pm – 3:30pm: Closing Remarks | |
| Sobhit Singh | Rochester |
| Venkatraman Gopalan | Penn State |
| Aldo Romero | West Virginia |
| Geoffroy Hautier | Dartmouth |
| Steven Bennett | NRL |
| Andre Clayborne | George Mason |
| Frank Abel | Naval Academy/NIST |
| Ichiro Takeuchi | UMD |
| Gerhard Klimeck | Purdue |
| Richard Hennig | Florida |
| Benjamin Geisler | Florida |
| Rigaberto Hernandez | Johns Hopkins |
| Javier Robledo Moreno | IBM |
| Angela Hight Walker | NIST |
| Deep Jariwala | UPenn |
| (Anant) M. P. Anantram | University of Washington |
| Kartik Srinivasan | NIST |
| Francesca Urban | Drexel |
| John Perdew | Tulane |
| Anders Blom | Synopsys Inc |
| Kade Head-Marsden | UMN |
| Kevin O'Brien | Intel |