BEGIN:VCALENDAR VERSION:2.0 PRODID:-//UW QuantumX - ECPv6.16.2//NONSGML v1.0//EN CALSCALE:GREGORIAN METHOD:PUBLISH X-ORIGINAL-URL:https://www.quantumx.washington.edu X-WR-CALDESC:Events for UW QuantumX REFRESH-INTERVAL;VALUE=DURATION:PT1H X-Robots-Tag:noindex X-PUBLISHED-TTL:PT1H BEGIN:VTIMEZONE TZID:America/Los_Angeles BEGIN:DAYLIGHT TZOFFSETFROM:-0800 TZOFFSETTO:-0700 TZNAME:PDT DTSTART:20240310T100000 END:DAYLIGHT BEGIN:STANDARD TZOFFSETFROM:-0700 TZOFFSETTO:-0800 TZNAME:PST DTSTART:20241103T090000 END:STANDARD BEGIN:DAYLIGHT TZOFFSETFROM:-0800 TZOFFSETTO:-0700 TZNAME:PDT DTSTART:20250309T100000 END:DAYLIGHT BEGIN:STANDARD TZOFFSETFROM:-0700 TZOFFSETTO:-0800 TZNAME:PST DTSTART:20251102T090000 END:STANDARD BEGIN:DAYLIGHT TZOFFSETFROM:-0800 TZOFFSETTO:-0700 TZNAME:PDT DTSTART:20260308T100000 END:DAYLIGHT BEGIN:STANDARD TZOFFSETFROM:-0700 TZOFFSETTO:-0800 TZNAME:PST DTSTART:20261101T090000 END:STANDARD END:VTIMEZONE BEGIN:VEVENT DTSTART;TZID=America/Los_Angeles:20251117T143000 DTEND;TZID=America/Los_Angeles:20251117T152000 DTSTAMP:20260525T101809 CREATED:20251120T223855Z LAST-MODIFIED:20251120T223855Z UID:7248-1763389800-1763392800@www.quantumx.washington.edu SUMMARY:MSE Seminar: Jenna Pope DESCRIPTION:Event interval: Single day eventCampus room: IEB G106Accessibility Contact: Matthew Yankowitz\, myank@uw.eduEvent Types: Lectures/Seminars \nTitle: BUQ4MLIP: Uncertainty Quantification for Machine Learning Interatomic Potentials \nAbstract: Machine learning interatomic potentials (MLIPs) are transforming atomistic simulations by providing ab initio-level accuracy at orders-of-magnitude faster speeds. Universal MLIPs\, also called foundation models\, are trained across large\, chemically diverse datasets with the goal of broad transferability to new atomic environments. However\, the blackbox nature of MLIPs obscures the relationship between atomic environments and predicted outputs\, making it difficult to discern when the model is operating within its domain of validity and when its outputs may be unreliable. Uncertainty quantification (UQ) provides interpretable metrics that indicate the confidence or reliability of MLIP predictions. This talk will discuss UQ approaches using quantile regression to produce confidence intervals around the predicted output that can be used to assess the trustworthiness of MLIP-driven simulations. \nBio: Dr. Jenna Pope (who publishes under the name Jenna A. Bilbrey) is a Data Scientist at Pacific Northwest National Laboratory\, working within the National Security Directorate. Her research bridges computational chemistry\, materials science\, and AI/ML\, with a focus on applying deep learning and uncertainty quantification methods to chemical and materials modeling. She holds a PhD in computational chemistry from the University of Georgia and a BS in chemistry from the University of West Florida. Her projects are highly interdisciplinary and involve close collaboration with both experimentalists and theoreticians. Over the course of her career\, she has published on topics such as neural network potentials\, active learning for materials simulations\, and graph-component methods for defect analysis.  URL:https://www.quantumx.washington.edu/calendar/mse-seminar-jenna-pope/ LOCATION:maps.app.goo.gl… CATEGORIES:Materials Science & Engineering END:VEVENT BEGIN:VEVENT DTSTART;TZID=America/Los_Angeles:20251124T143000 DTEND;TZID=America/Los_Angeles:20251124T152000 DTSTAMP:20260525T101809 CREATED:20251120T223906Z LAST-MODIFIED:20251124T200112Z UID:7250-1763994600-1763997600@www.quantumx.washington.edu SUMMARY:MSE Seminar: Peter Sushko DESCRIPTION:Event interval: Single day eventCampus room: IEB G106Accessibility Contact: Matthew Yankowitz\, myank@uw.eduEvent Types: Lectures/Seminars \nTitle: Understanding and Controlling Interfacial Constraints for Predictive Materials Synthesis \nAbstract: Advancements in materials for energy functions and novel computing devices rely on mastering synthesis processes to achieve precise control over material structures and properties. In this seminar\, I will examine the pivotal role of interfacial constraints in determining the structure and functionality of materials\, emphasizing the need for a detailed understanding of their atomic- scale origins—from interactions and strain to structural inhomogeneity and compositional Variability. \nI will present case studies illustrating this need. First\, I will discuss how interfacial bonding and strain can control the crystallographic orientations of PdO\, Pd\, and Ta—materials vital for catalysis and superconducting qubits. I will also explore the role of subsurface interactions by showcasing how interstitial Te atoms in WTe 2 promote monodispersed Pd cluster formation and how subsurface H atoms influence the catalytic properties of Pd nanostructures. Finally\, I will highlight the role of internal interfaces\, such as grain boundaries\, in facilitating these processes. These examples underscore the importance of understanding atomic-scale deviations in crystallographic and compositional order\, controlling these deviations\, and leveraging them to guide the synthesis and transformation of functional materials. \nBio: Dr. Peter Sushko is a computational materials scientist in the Physical Sciences Division at Pacific Northwest National Laboratory (PNNL). He earned his BSc and MSc degrees in physics from St. Petersburg State University\, Russia. He then completed his PhD in physics at University College London (UCL)\, UK\, where he developed an embedded cluster approach to simulate the electronic properties of point defects in ionic materials. In 2008\, Dr. Sushko was awarded a Royal Society University Research Fellowship and joined the UCL Department of Physics and Astronomy as a Lecturer\, subsequently becoming a Reader. In 2014\, he joined PNNL as the leader of the Materials Sciences group in the Physical Sciences Division. In 2021\, he became the coordinator for the DOE Office of Sciences Basic Energy Sciences\, Materials Sciences and Engineering sector at PNNL. His research focuses on uncovering atomic-scale mechanisms of defect formation and transport\, as well as predicting how disorder and defects influence material properties and functions. He has co-authored over 220 peer-reviewed papers on the physical and chemical properties of nanostructured materials and interfacial phenomena. URL:https://www.quantumx.washington.edu/calendar/mse-seminar-peter-sushko/ LOCATION:Interdisciplinary Engineering Building – IEB G106\, 4000 E Stevens Way NE\, Seattle\, WA\, 98195\, United States CATEGORIES:Materials Science & Engineering END:VEVENT END:VCALENDAR