Seminar by Dr. Ayush Asthana, Assistant Professor, Department of Chemistry, University of North Dakota on "Quantum Chemistry in the Era of Quantum Computing: Opportunities and Challenges"

12 Dec 2023
Seminar Room # 350, second floor annex

Speaker: Dr. Ayush Asthana
Assistant Professor, Department of Chemistry
University of North Dakota |

Title: “Quantum Chemistry in the Era of Quantum Computing:
Opportunities and Challenges”.

Day and Date: Tuesday, December 12, 2023

Time: 10.30 am.

Venue: Room no. 350, Chemistry Department
Second floor, Annex

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Hosted by Prof. Achintya Kumar Dutta & Prof. Rahul Maitra

Talk Title : “Quantum Chemistry in the Era of Quantum Computing: Opportunities and Challenges”.
Abstract
Quantum chemistry is expected to be one of the first areas where quantum computers can demonstrate an advantage over classical computers. Many algorithms are proposed for the key tasks in quantum chemistry, namely finding accurate molecular ground and excited states of a molecular Hamiltonian. At the same time, there are several challenges before these devices can assist research in chemical sciences. I will outline the research problem, recent developments in this exciting new field and some of the major theoretical challenges that need to be resolved in the future. Further, I will discuss our new developments to tackle these challenges, particularly, pulse-level variational molecular simulation algorithm (ctrl-VQE) and a new molecular excited-state method (q-sc-EOM) aimed at near-term quantum computing.