- Source: Heather Kulik
Heather J. Kulik is an American computational materials scientist and engineer who is the Lammot Du Pont Professor of Chemical Engineering at the Massachusetts Institute of Technology. Her research considers the computational design of new materials and the use of artificial intelligence to predict material properties.
Early life and education
Kulik earned her bachelor's degree in chemical engineering at Cooper Union in 2004. She moved to Massachusetts Institute of Technology for her graduate studies, where she joined the department of materials science and engineering and worked under the supervision of Nicola Marzari. During her doctoral research, she introduced a Hubbard U term to density functional theory calculations, which improved the study of transition metal complexes. Density functional theory allows for the prediction and study of new materials with limited computational cost. Amongst these materials, Kulik concentrated on transition metal complexes, as their highly localized electrons make the unphysical decollimation that occurs in the simplifications of DFT inappropriate. She graduated in 2009 with her Ph.D. in materials science and engineering.
Kulik then conducted postdoctoral research with Felice Lightstone at Lawrence Livermore National Laboratory. She then worked alongside Todd Martínez at Stanford University and Judith Klinman at University of California, Berkeley on the large-scale electronic structures of biomolecules.
Research and career
In 2013, Kulik joined the faculty at Massachusetts Institute of Technology as the Joseph R. Mares Career Development Chair. She specializes in computational modeling and artificial intelligence to accelerate the discovery of new materials and catalysts. In particular, Kulik develops new strategies to improve the accuracy of density functional theory.
Awards and honors
2017 I&ECR, Class of 2017 Influential Researcher
2018 DARPA Young Faculty Award
2019 Journal of Physical Chemistry Lectureship Award
2019 National Science Foundation CAREER Award
2019 AAAS Marion Milligan Mason Award
2019 Princeton University Saville Lecturer
2019 Novartis Early Career Award
2020 DARPA Director's Fellowship Award
2021 Sloan Research Fellowship
Selected publications
Heather J Kulik; Matteo Cococcioni; Damian A Scherlis; Nicola Marzari (September 5, 2006). "Density functional theory in transition-metal chemistry: a self-consistent Hubbard U approach". Physical Review Letters. 97 (10): 103001. arXiv:cond-mat/0608285. Bibcode:2006PhRvL..97j3001K. doi:10.1103/PHYSREVLETT.97.103001. ISSN 0031-9007. PMID 17025809. Wikidata Q51122974.
Jon Paul Janet; Heather J Kulik (May 17, 2017). "Predicting electronic structure properties of transition metal complexes with neural networks". Chemical Science. 8 (7): 5137–5152. arXiv:1702.05771. doi:10.1039/C7SC01247K. ISSN 2041-6520. PMC 6100542. PMID 30155224. Wikidata Q62741716.
Heather J Kulik (June 1, 2015). "Perspective: Treating electron over-delocalization with the DFT+U method". The Journal of Chemical Physics. 142 (24): 240901. doi:10.1063/1.4922693. ISSN 0021-9606. PMID 26133400. Wikidata Q85508460.
Jon Paul Janet; Heather J. Kulik (May 19, 2020). Machine Learning in Chemistry. doi:10.1021/ACS.INFOCUS.7E4001. ISBN 978-0-8412-9900-9. Wikidata Q106293390.