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Advances in methods for simulating molecular excited states using quantum computers

ORAL

Abstract

Accurate determination of molecular excites states play an important role in computational chemistry, however, scalable methods making use of classical computers often fail to describe challenging excites state problems with sufficient accuracy. Quantum algorithms provide a promising alternative pathway to design fundamentally new scalable approaches to achieve highly accurate molecular excites-state energy and properties. This talk will discuss our recently proposed method for accurate molecular excited states, namely quantum self-consistent equation-of-motion (q-sc-EOM). We will further look at a comparative analysis of leading excited-state methods on quantum hardware and discuss potential advantages quantum computers may lead to in excited-state quantum chemistry.

Presenters

  • Ayush Asthana

    University of North Dakota

Authors

  • Ayush Asthana

    University of North Dakota