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SUMMARY:MARVEL Distinguished Lecture — Heather Kulik
DTSTART:20221213T150000
DTEND:20221213T163000
DTSTAMP:20260407T114137Z
UID:c427fd0f7e432b04eabf0be9f27bd2641fd5fa391f61b806f99501a4
CATEGORIES:Conferences - Seminars
DESCRIPTION:Heather Kulik (MIT)\nhttps://epfl.zoom.us/j/62028983673\nPassc
 ode: 3249\n\nProf. Heather Kulik\nMassachusetts Institute of Technology\n\
 nMaterials discovery in challenging spaces with machine learning: from tr
 ansition metal complexes to metal-organic frameworks\nI will discuss our e
 fforts to use machine learning (ML) to accelerate the computational tailor
 ing and design of transition metal complexes and metal-organic framework (
 MOF) materials. One limitation in a challenging materials space such as op
 en shell\, 3d transition metal chemistry is that ML models and ML-accelera
 ted high-throughput screening traditionally rely on density functional the
 ory (DFT) for data generation\, but DFT is both computationally demanding 
 and prone to errors that limit its accuracy in predicting new materials. I
  will describe three ways we’ve overcome these limitations: i) through e
 fficient global optimization to minimize the numbers of calculations carri
 ed out to obtain design rules in weeks instead of decades while satisfying
  multiple objectives\; ii) through machine-learned consensus from dozens o
 f DFT functionals to more robustly uncover new materials\; iii) through th
 e development of a density functional "recommender" that identifies the mo
 st accurate mean field theory for a given compound\; and iv) by the use of
  natural language processing to extract\, learn\, and directly predict exp
 erimental measures of stability on heterogeneous MOF materials. \n\nAbout
  the speaker\nHeather J. Kulik is an Associate Professor in Chemical Engin
 eering at MIT. She received her B.E. in Chemical Engineering from Cooper U
 nion in 2004 and her Ph.D. in Materials Science and Engineering from MIT i
 n 2009. She completed postdocs at Lawrence Livermore (2010) and Stanford (
 2010−2013)\, prior to returning to MIT as a faculty member in 2013 and r
 eceiving tenure in 2021.\nHer work has been recognized by a Burroughs Well
 come Fund Career Award at the Scientific Interface (2012-2017)\, Office of
  Naval Research Young Investigator Award (2018)\, DARPA Young Faculty Awar
 d (2018)\, AAAS Marion Milligan Mason Award (2019-2020)\, NSF CAREER Award
  (2019)\, the Industrial & Engineering Chemistry Research “Class of Infl
 uential Researchers”\, the ACS COMP Division OpenEye Award for Outstandi
 ng Junior Faculty in Computational Chemistry\, the JPCB Lectureship (ACS P
 HYS)\, the DARPA Director’s Fellowship (2020)\, and a Sloan Fellowship (
 2021).\n\n 
LOCATION:https://epfl.zoom.us/j/62028983673?pwd=bDQrZ2lCblAzUTFic2VUd2ZIdE
 lyQT09
STATUS:CONFIRMED
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