The Scientific Advisory Board meeting will place virtually on May 28, 2021. Members of the Scientific Advisory Board met with MICCoM PIs and participants to discuss current work and future directions of the center. The agenda will include highlights from ongoing research as well as discussions on developments of software and hardware within the center.
Dr. Logan Ward, Assistant Computational Scientist at Argonne National Laboratory presented a talk titled "Integrating AI and Molecular Simulations," while Dr. Alexey Galda, Research Assistant Professor at James Franck Institute, University of Chicago, presented a talk titled "Pulse-level control of quantum computers for physics and materials science applications." The Special Seminars were free and open to the public.
March 15th - 19th, 2021 - Online
de Pablo Group talks:
Ferguson Group talks:
Galli Group talks:
Whitmer Group talks:
MICCoM will hold a virtual All-Hands meeting on Dec. 4, 2020. All MICCoM PIs and participants will discuss current work and future directions of the center.
Agenda Overview: After a short introduction, we will discuss three themes: 1) Code Coupling, 2) Porting codes to GPUs, 3) Verification, Validation, and Data.
The talk is titled "Quantum Simulations of Heterogeneous Materials on Classical and Near-term Computers," and will be presented within the PKU-UChicago Joint Series: Symposium on Theoretical Chemistry. Prof Galli will present strategies to predict and design materials for next generation technologies by combining theories based on quantum mechanics, and algorithms and codes running on high performance classical computers, and, in some cases, on near-term quantum computers. The talk is based on MICCoM research that was featured by Argonne.
Presented by Argonne National Laboratory as part of the Chicago Water Week hosted by Current, the webinar will focus on how manufacturing innovations figure significantly into solving the global water crisis and how pioneering technologies can deliver next-generation purification materials. The 90-minute free webinar will feature industry and science leaders speaking on the use of advanced characterization, data analytics, and artificial intelligence (AI) to transform next-generation materials manufacturing.
To look at the intersection of artificial intelligence and water science and technology, Argonne National Laboratory is hosting a webinar on “AI for Water” as part of the Chicago Water Week hosted by Current. The 90-minute free webinar will feature five presentations by Argonne researchers exploring different aspects of how AI can be applied to solve challenges in the water space.
Dr. Maria Chan delivered a virtual talk titled "Theory-informed Machine Learning for Experimental Data Inversion" at 4:00 PM CST on Sept. 22nd. Chan was recently awarded an Early Career award from the Department of Energy Basic Energy Sciences. Chans's awarded project is titled "Theory-informed Artificial Intelligence for Accelerating Materials Characterization," and aims to use a theory-informed artificial intelligence and machine learning framework to determine atomic positions in real-time from experimental characterization data.
The Scientific Advisory Board meeting took place virtually on May 28-29, 2020. Members of the Scientific Advisory Board met with MICCoM PIs and participants to discuss current work and future directions of the center. The agenda included highlights from ongoing research as well as discussions on developments of software and hardware within the center.
Due to uncertainties and health concerns caused by the rapidly evolving COVID-19 situation, we cancelled the training event of MICCoM codes originally planned to be held at Argonne on March 30-31, 2020. We will be in touch with all participants in order to reschedule it online.
March 2th - 6th, 2020 - Denver, CO
de Pablo Group talks:
Galli Group talks:
Gygi Group talks:
Whitmer Group talks:
The 2019 MICCoM All-Hands meeting was held on Nov. 4, 2019 at Argonne National Laboratory.
The Scientific Advisory Board meeting of MICCoM was held on September 20-21, 2018.
The 2018 MICCoM All-Hands meeting was held on June 28th, 2018 at Argonne National Laboratory.
June 4-6, 2017 at the University of Notre Dame
The conference, in its 30th year, focuses on the latest developments in experimental, computational and theoretical thermodynamics and statistical mechanics research.
"Computational Materials: Challenges and Future Opportunities"
May 31 - June 2, 2017
The University of Chicago Center in Paris, 6 rue Thomas Mann, 75013 Paris, France
This meeting will bring together the senior principal investigators of computational materials science centers, and of major computational materials efforts worldwide.
Visit the website of the meeting
May 18 - 19 in Arlington, VA
Advancing and Accelerating Materials Innovation Through the Synergistic Interaction among Computation, Experiment, and Theory: Opening New Frontiers
We organized the first 2017 national meetup of the Early Career Network (ECN)! ECN is a group of early career scientists from current DOE funded Energy Frontier Research Centers (EFRC), Energy Innovation Hubs, and Computational Materials Science centers. ECN is promoting more graduate student and postdoc activity within the centers through webinars and social events at national conferences.
Friday, July 29, 2016, Eisenhower Executive Office Building, Washington D.C.
The workshop will bring together leaders from industry, academia, and government to learn about the NSCI’s first year of progress. The White House would like to hear individual views from attendees about the opportunities for discovery and innovation that NSCI will afford, as well as solutions to the challenges that the high-performance computing community faces in achieving the visionary goals of the initiative.
Institute for Multiscale Simulation, Friedrich-Alexander-University Erlangen-Nuremberg, Germany
August 15, 4PM - GCIS E223
The assembly of functional nanoscale building blocks has led to the development of novel materials. Nanocrystals are particularly promising because their shape and ligand shell can be tuned continuously through control of the synthesis procedure and the assembly conditions. Just like atoms, nanocrystals nucleate ordered seeds that gradually grow into superlattices. Interestingly, but maybe not surprisingly, many superlattices with nanocrystals are iso-structural to crystals found with atoms and vice versa. In this presentation we address this relationship. First we demonstrate how we can reproduce and understand experimentally observed superlattice formation in computer simulations for nanocrystals with anisotropic shape and in binary mixtures. By systematic searches in parameter space, coupled with advances in coarse-graining models, we aim to expand the library of achievable superlattices. Many superlattices iso-structural to crystals of the chemical elements are rediscovered plus some new, exotic ones.