News

Giulia Galli awarded 2019 David Adler Lectureship Award in the Field of Materials Physics (9/14/18)

The APS David Adler Lecturship Award in Materials Physics recognizes "outstanding contributors to the field of materials physics, noted for quality of research, review articles, and lecturing." Galli has been awarded "for the invention of methods, especially for the enhancement of ab initio molecular dynamics, to understand, predict, and engineer the electronic and structural properties of materials." She will receive the award at the 2019 APS March Meeting in Boston.


MICCoM holds Scientific Advisory Board meeting (9/20/2018)

The annual Scientific Advisory Board meeting was held at Argonne National Laboratory. Members of the Scientific Advisory Board met with MICCoM PIs and participants to discuss current work and future directions of the center. Presentations included talks and posters on developments in software, validation strategies, and data infrastructure within the center.


Giulia Galli awarded 2018 Materials Research Society Theory Award (9/12/18)

The MRS Materials Theory award recognizes "exceptional advances made by materials theory to the fundamental understanding of the structure and behavior of materials." Galli has been awarded for "the development of advanced first-principles simulation methods and their application to the understanding, prediction, and design of complex nanostructured materials." She will receive the award at the 2018 MRS Fall Meeting & Exhibit in Boston.


Paper on nanocrystalline solids featured in UChicago News (7/18/18)

The Nature Nanotechnology paper by MICCoM researchers Giulia Galli and Dmitri Talapin, titled "Surface chemistry and buried interfaces in all-inorganic nanocrystalline solids" uses the Qbox code to analyze nanoparticles capped with ligands for application in optoelectronic and photonic technologies.


Dept. of Energy taps Argonne to lead effort focused on advanced materials for energy-water systems (7/2/18)

Argonne has been chosen to lead a new Energy Frontier Research Center on the energy-water nexus. Argonne will partner with the University of Chicago and Northwestern University on the four-year project.


Paper on high pressure water featured in UChicago News (6/20/18)

The PNAS paper, by Giulia Galli, titled "Ab initio spectroscopy and ionic conductivity of water under Earth mantle conditions" uses the Qbox code to analyze water at geophysically relevant conditions.


Positions Open: Postdoctoral Associates

Multiple positions are open for postdoctoral associates at the University of Chicago, in affiliation with the Midwest Integrated Center for Computational Materials (MICCoM).

Application:
Candidates may find information here and should apply with 1) a full CV, including contacts for at least two references, and 2) a cover letter of intent to gagalli@uchicago.edu.


Launch of Qresp

MICCoM has developed the open source software Qresp: “Curation and Exploration of Reproducible Scientific Papers” to facilitate the organization, annotation and exploration of data presented in scientific papers. Qresp may be used to both curate data presented in scientific papers or explore curated scientific papers.


Timothy Berkelbach awarded Sloan Research Fellowship in chemistry (2/15/18)

The Sloan Research Fellowships promote fundamental research by early-career scientists, in recognition of distinguished performance and a unique potential to make substantial contributions to their field. Timothy Berkelbach's research focuses on electronic and optical properties of novel nanoscale materials.


Mercouri Kanatzidis awarded Chemical Pioneer Award by the American Institute of Chemists (2/13/18)

The award recognizes those "who have made outstanding contributions which have had a major impact on advances in chemical science and industry and/or the chemical profession." Kanatzidis was selected to receive this award for his work defining the field of chalcogenide compounds (sulfides, selenides, and tellurides).


Paul Nealey elected to the National Academy of Engineering (2/7/18)

Nealey was recognized "for the development of directed self-assembly of block copolymers as an industrially significant process for nanolithography." His research often collaborates closely with computa tional efforts within MICCoM.


Jonathan Whitmer wins NSF CAREER award (1/26/18)

Whitmer was awarded the NSF's most prestigious award for early-career faculty for "Designing Colloidal Materials By Tilting the Free Energy Surface." The award supports the use of powerful computational modeling to develop a comprehensive picture of the clusters colloidal materials are likely to assemble into, and how specific aggregates may be achieved by modifying the structure and composition of colloidal particles.


SSAGES paper published in J. Chem. Phys. (1/22/18)

Paper on Software Suite for Advanced General Ensemble Simulations (SSAGES) methodology and examples was published, from Juan de Pablo and Jonathan Whitmer research groups.


Position Open: Software Engineer

Positions are open for software engineers at Argonne National Laboratory at MICCoM.

Application:
Candidates may either apply here or may submit 1) a full CV, including contacts for at least two references, and 2) a cover letter of intent to both gagalli@uchicago.edu and mgovoni@uchicago.edu, with “Software Engineer or Programmer Application” in the subject line (PDF attachments only).


Paper by Juan de Pablo published in PNAS (12/4/2017)

Paper published in PNAS Electrostatic confinement and manipulation of DNA molecules for genome analysis by Juan de Pablo and collaborators, highlights COPPS validation example.


Juan de Pablo Receives 2018 APS Polymer Physics Prize

Professor Juan de Pablo has received the APS Polymer Physics Prize, given annually by the American Physical Society (APS), "for his innovative models and algorithms for the simulation of macromolecular systems." This prize was established in 1960 with The Dow Chemical Company now serving as chief supporter. The prize recognizes outstanding accomplishment and excellence of contributions in polymer physics research. It consists of $10,000 and a certificate citing the contributions made by the recipient. For more information on the APS Polymer Physics Prize, please visit here


Paper by Olvera de la Cruz published in Phys Rev Lett

Paper published in Phys Rev Lett "Understanding Rare Earth Emulsions" by Monica Olvera de la Cruz and collaborators, highlighted on the DOE office of science home page.


Paper selected as Editor's Choice article by JCP

The paper entitled "Parallel O(N) Stokes’ solver towards scalable Brownian dynamics of hydrodynamically interacting objects in general geometries" co-authored by X. Zhao, J. Li, X. Jiang, D. Karpeev, and Argonne researchers Heinonen and de Pablo, describes new, highly parallel algorithms (and the corresponding software) for calculation of hydrodynamic interactions in suspensions of nano-and micro-particles. The article has been chosen as a 2017 Editor's Choice article by The Journal of Chemical Physics. The new software is distributed as part of the COPSS suite by MICCoM.


APS launches Physics Next Meetings

A new series of topical workshops hosted by the editors of the Physical Review kicks off with materials design and discovery.


APS launches Physical Review Materials

Giulia Galli has been named to the Editorial Board of Physical Review Materials


Juan de Pablo elected to the National Academy of Engineering

Juan de Pablo has been elected to National Academy of Engineering, for “design of macromolecular products and processes via scientific computation.”


Monica Olvera de la Cruz received the 2017 Polymer Prize of the APS

Monica Olvera de la Cruz has been awarded the 2017 Polymer Prize of the American Physical Society, “for outstanding contributions to the theoretical understanding of polymers, and the effects of electrostatic interactions on their structure and properties.”


Argonne OutLoud public lecture on Computational Materials Modeling by Maria Chan

Maria Chan recently gave an Argonne OutLoud public lecture on Computational materials modeling at Argonne, entitled "From Atoms to Clean Energy Technologies".


WEST Data Collections are live - 20 June 2016

New WEST Data Collections provide open web-based access to electronic structure properties computed with WEST. Explore the GW100 and GWSOC81 sets.


MICCoM Wiki space - June 2016

A new Wiki space, hosted at the University of Chicago, is now accessible to all MICCoM members, allowing for smooth communications, exchange of ideas and circulation of knowledge within the Center.



Quantum Science Research website live


New Release of WEST - April 2016

The WEST code now includes option to obtain optical coefficients of solids and molecules, including local field effects.


Giulia Galli gives one of the memorial lectures celebrating the 50th anniversary of Kohn-Sham Density Functional Theory


Paper appeared in Science

A paper on "Reproducibility in density functional theory calculations of solids" appeared in Science, with François Gygi as co-author.


2016 James C. McGroddy Prize to Mercouri Kanatzidis

Award Citation: For seminal contributions to the discovery of new families of thermoelectric materials with the highest known figure of merit.


ACS Award in Inorganic Chemistry honouring Mercouri G. Kanatzidis

Award Citation: For pioneering achievements in the development and understanding of metal chalcogenide chemistry.


INCITE computational time award 2015 to Giulia Galli


ESP computational time award 2015 to Giulia Galli


DOE announces Computational Materials Sciences Awards

One of the three centers, MICCoM (Midwest Integrated Center for Computational Materials) is established at Argonne National Lab and is led by Prof. Giulia Galli. MICCoM's mission is to develop open-source advanced software tools to help the scientific community model, simulate and predict the fundamental properties and behavior of nanoscale and mesoscale materials for energy conversion technologies — including metastable materials assembled far from equilibrium conditions.

Press releases by ANL, UChicago, and IME.