Quantum chemistry simulation of ground- and excited-state properties of the sulfonium cation on a superconducting quantum processor
- Mario Motta
- Gavin Jones
- et al.
- ACS Fall 2023
Dr. Liepuoniute is a Research Scientist at the IBM-Almaden Research Center. She is in the Quantum Computing Applications group and is interested in utilizing quantum computers for chemistry applications. Her current projects include simulating spin dynamics in organic crystals, modeling chemical reactions and performing quantum chemistry benchmark studies on the current quantum hardware.
Dr. Liepuoniute received a B.S. with honors in Chemistry from New York University Abu Dhabi (NYUAD) in 2017. Her undergraduate research was in experimental design of functional organic materials and computational studies of material defects in the solid state.
Dr. Liepuoniute obtained her Ph.D. in 2021 from the University of California, Los Angeles (UCLA) under the direction of Professors Miguel Garcia-Garibay and Ken Houk. During her graduate studies she combined computational and experimental methods in exploring the energetics and rotational dynamics in molecular gears, dipolar rotors in metal-organic frameworks and chemical reactivity of small organic molecules in the solid state.