Members
hjkulik @ mit.edu (  C.V.)
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Heather Kulik Assistant Professor since 2013 Professor Heather J. Kulik is an Assistant Professor in the Department of Chemical Engineering at MIT. She received her B.E. in Chemical Engineering from the Cooper Union for the Advancement of Science and Art in 2004 and her Ph.D. from the Department of Materials Science and Engineering at MIT in the group of Nicola Marzari in 2009. She then completed postdoctoral training in the group of Felice Lightstone at Lawrence Livermore National Lab (2010) and Todd J. Martı́nez at Stanford University (2010−2013), prior to joining MIT as a faculty member in November 2013. The Kulik group develops new approaches and software for inorganic design and discovery, methodology to advance accurate electronic structure for transition-metal catalysis, and advances understanding of the enzyme mechanism through accelerated, large-scale electronic structure. |
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jeongyun @ mit.edu |
Jeong Yun Kim Postdoctoral Scholar since 2016 Jeong Yun joined the group in January 2016 as a postdoctoral scholar. She received her B.S. in Materials Science and Engineering from Seoul National University, Korea in 2009. Jeong Yun earned her Ph.D. in Materials Science and Engineering from MIT in 2015 under the guidance of Prof. Jeffrey Grossman. Her dissertation was focused on understanding and designing thermoelectric materials with atomistic-scale simulations. In the Kulik group, her current work focuses on applying computational screening approach to design molecular catalysts and quantum dot precursors. |
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akash9 at MIT dot EDU |
Akash Bajaj Graduate Student since 2016 Akash is from Kanpur, India, and he completed his Bachelors in Materials Science and Engineering from IIT-Kanpur in Spring 2016. At IIT-Kanpur, Akash worked with Prof. Somnath Bhowmick, majorly, on utilizing genetic algorithms for predicting novel two-dimensional polymorphs of Phosphorene and Arsenene. Akash is currently pursuing a Ph.D. in Materials Science & Engineering at MIT. Akash joined the Kulik group in Fall 2016. Currently, Akash's research is focused upon developing techniques to overcome both, delocalization error and static correlation error, in exchange correlation approximations in DFT. |
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terryg at MIT dot edu ( C.V.)
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Terry Gani Graduate Student since 2015 Originally from Singapore, Terry received his B.Eng. in Chemical Engineering with First Class Honours from National University of Singapore in 2013, where he worked with Professor Mark Saeys on microkinetic modeling of the Fischer-Tropsch process. He received an M.S. in Chemical Engineering Practice from MIT in 2017, working at Saint-Gobain, Cabot and MSD Ireland as part of the Practice School program. In the Kulik group, he is currently developing high-throughput screening methods for catalyst design. |
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jpjanet @ mit.edu |
Jon Paul (JP) Janet Graduate Student since 2015 J.P. studies strategies for computational materials design. J.P. completed his bachelor’s degree in chemical engineering at the University of Cape Town (2012) and holds joint master’s degrees in applied mathematics/scientific computing from KTH Stockholm (2015) and TU Berlin (2015). J.P. is a PhD student in the computational science and engineering program and the Chemical Engineering Department at MIT. |
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rimsha at MIT dot EDU |
Rimsha Mehmood Graduate Student since 2016 Rimsha graduated from the School of Science and Engineering, LUMS, Pakistan with a B.S in Chemistry. During her undergraduate degree, she worked under the supervision of Prof.Irshad Hussain on the production of functionalized Manganese Oxide nanoparticles for bacteria detection in drinking water. After graduation from LUMS, Rimsha joined MIT as a Chemistry graduate student in Fall 2016 and subsequently the Kulik group in Spring 2017. Currently, her research focuses on using computational chemistry tools to explore the role of substrate positioning in the reactivity outcomes of multi-protein biosynthetic assemblies. |
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helenaqi at MIT dot edu ( C.V.)
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Helena Qi Graduate Student since 2014 Helena joined the group in November 2014 as a PhD student in Chemistry. She received her B.A. in chemistry and physics from Wellesley College in 2014. While at Wellesley, she worked in Professor Mala Radhakrishnan's group studying the effect of macromolecular crowding on protein binding. Her current work at MIT focuses on using first-principles simulation to explain unusual structural features of proteins. Helena holds a DOE Computational Science Graduate Fellowship. |
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qingzhao@mit.edu ( C.V.)
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Qing Zhao Graduate Student since 2014 Qing received her B.S. in Mechanical Engineering from Shanghai Jiaotong University, China and Purdue University in 2012. As an undergraduate at Purdue, she worked on synthesizing quantum dots via wet chemistry methods for thermoelectric applications. Qing earned her M.S. in Mechanical Engineering from MIT in 2014 with a focus on modeling solid contact in internal combustion engine. Currently, Qing is exploring new methods for the predictions of accurate properties in transition metal catalysis and nanostructured materials, including comparing accurate correction of delocalization error in transition metal catalysis and understanding how they change catalytic activities, and investigating how nanostructured materials grow through large-scale electronic structure modeling of > nm-scale materials, and developing new methods to discover amorphous structures. |
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lchan at MIT dot edu |
Lydia Chan Visiting Student since 2017 Lydia is a rising senior at Troy High School in Fullerton, CA. She's with us for Summer 2017 to do research and is currently working on using genetic algorithms to discover unconventional spin-crossover complexes with molSimplify. |