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Senior Scientist (AI and Computational Chemistry) at DeepCure, Inc

Previous AI Research Scientist at Exscientia, Inc

Ex-Research Fellow at Schrodinger, Inc, MIPT-Russia, IISc-Bengaluru, BARC-Mumbai, CSIR, India

Researcher with a Ph.D. from University of Illinois

Aayush is an innovative AI computational chemist with over 9 years of combined academic and industrial experience. His research focus is at the nexus of AI, Physics and Chemistry, he seamlessly integrates AI into advanced quantum and classical molecular modeling. He is proficient in machine learning, programming, and data science, and is well- versed with AWS, Linux servers, and GPUs. Aayush has a strong background in developing ML-based computational workflows for solving molecular properties and protein-drug modeling. He has consistently displayed entrepreneurial and independent research skills throughout his career. He has a proven track record of publishing as a first author in peer-reviewed journals, showcasing his ability to generate new ideas, develop prototypes, and document his findings. Passionate about learning and innovation, Aayush is committed to pushing “AI for Science” forward.

When Aayush is not solving problems in computational chemistry, he plays poker (Champion @ Schrodinger Poker Night'2019) and watches/reads Japanese animes/mangas. Aayush is also a licensed drone pilot who creates aesthetic videos (see here and here). He also mentions himself self proclaimed chef - love to fuse-cook different cuisines. In sports, he loves to play badminton and a frequent marathon runner.

Highlighted Research

Gupta, Aayush,Dey, Souvik, Hicks, Alan, and Zhou, Huan-Xiang. (2021). Artificial intelligence guided conformational mining of intrinsically disordered proteins. [Nature Communications Biology](https://doi.org/10.1038/s42003-022-03562-y)
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Awards & Activities:

* Recipient of Chancellor's Student Service and Leadership Award at UIC (Apr’20).
* Best TA Award for General Chemistry II Discussion & Lab (CHEM124/125) (May’18).
* Received “GSC Travel Award” and “Student Presenter Award” at UIC (2017).
* Organized “Chicago Biophysical Networking Event” at UIC on (Sep’19).
* Active mentor at Science Club by Northwestern University.
* Panellist at the event “Graduate School Reality Check” at ACS meeting at San Francisco.
* Shortlisted among the invitees to attend “Indian Science Academies Workshop” BIT-Mesra, Deoghar.
* Awarded 5top100 scholarship to work at MIPT, Moscow, Russia. (% intake : 5).
* Awarded Indian Academies of Sciences - Summer Research Fellowship. (% intake : 2).
* Diploma in Computer Application (DCA) from Public University, India with A+ grade.
* Presented topic “Darwin Awards” at IGNITE (20 slides in 5 mins).
* Invited speaker at Freshers event at ICT.