Dear all,
We are excited to have Prof. James D. Whitfield (Dartmouth) deliver the first Special
Quantum Computing seminar on Sept 14 at Jefferson Hall 250. Refreshments will begin at 3.
The talk will start at 3:30, followed by a mentorship session with Prof. Whitfield 4:15 pm
- 5 pm (details below).
Title - At the intersection of quantum computing and quantum chemistry
Abstract - Investment in quantum technology is driven by industrial and commercial
potential. Only a few applications are as widely known as the quantum simulation of
chemistry. As a result, there have been many interesting questions sparked at the
intersection of quantum chemistry and quantum computing. In this talk, I will focus on
the key role that the single-particle orbitals play in computing electronic structures
both with and without quantum resources. The orbitals dictate the reliability of numerical
results, the number of qubits needed to perform quantum simulations, and, in some cases,
even the computational complexity of the ground state. I will give two examples of orbital
selections that dramatically change the computational complexity of the electronic
structure ground problem [1,2].
[1] Intractability of Electronic Structure in a Fixed Basis. Bryan O’Gorman, Sandy Irani,
James Whitfield, and Bill Fefferman
PRX Quantum 3, 020322 (2022)
[2] Basis set generation and optimization in the NISQ era with Quiqbox.jl. Weishi Wang and
James Whitfield. arXiv:2212.04586
Mentorship session - Aimed at students and early career researchers, the mentorship
session will allow the audience to engage with Prof. Whitfield on questions related to
career and research directions. The questions can range anywhere from ''Is
research in quantum computing a good career choice?" to "How can I understand
density functional theory as a computer scientist?". These important questions
usually come up in one-to-one conversations at the end of a seminar, but our goal here
will be to openly discuss and benefit from them.
Hope to see you all there.
With Best Regards,
Anurag Anshu
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Happening today (3-5 pm) in Jefferson 250.
With Best Regards,
Anurag Anshu
________________________________
From: Anshu, Anurag <anuraganshu(a)fas.harvard.edu>
Sent: Monday, September 11, 2023 2:44 PM
To: quantum-info-group(a)lists.fas.harvard.edu
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harvard-quantum-initiative(a)lists.fas.harvard.edu
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Cc: James.D.Whitfield(a)dartmouth.edu <James.D.Whitfield(a)dartmouth.edu>du>; Ahammed,
Sumaira <sahammed(a)seas.harvard.edu>du>; Wilson, William L
<wwilson(a)cns.fas.harvard.edu>
Subject: [Quantum-info-group] Special Quantum Computing Seminar Sep 14 - Prof. James
Whitfield
Dear all,
We are excited to have Prof. James D. Whitfield (Dartmouth) deliver the first Special
Quantum Computing seminar on Sept 14 at Jefferson Hall 250. Refreshments will begin at 3.
The talk will start at 3:30, followed by a mentorship session with Prof. Whitfield 4:15 pm
- 5 pm (details below).
Title - At the intersection of quantum computing and quantum chemistry
Abstract - Investment in quantum technology is driven by industrial and commercial
potential. Only a few applications are as widely known as the quantum simulation of
chemistry. As a result, there have been many interesting questions sparked at the
intersection of quantum chemistry and quantum computing. In this talk, I will focus on
the key role that the single-particle orbitals play in computing electronic structures
both with and without quantum resources. The orbitals dictate the reliability of numerical
results, the number of qubits needed to perform quantum simulations, and, in some cases,
even the computational complexity of the ground state. I will give two examples of orbital
selections that dramatically change the computational complexity of the electronic
structure ground problem [1,2].
[1] Intractability of Electronic Structure in a Fixed Basis. Bryan O’Gorman, Sandy Irani,
James Whitfield, and Bill Fefferman
PRX Quantum 3, 020322 (2022)
[2] Basis set generation and optimization in the NISQ era with Quiqbox.jl. Weishi Wang and
James Whitfield. arXiv:2212.04586
Mentorship session - Aimed at students and early career researchers, the mentorship
session will allow the audience to engage with Prof. Whitfield on questions related to
career and research directions. The questions can range anywhere from ''Is
research in quantum computing a good career choice?" to "How can I understand
density functional theory as a computer scientist?". These important questions
usually come up in one-to-one conversations at the end of a seminar, but our goal here
will be to openly discuss and benefit from them.
Hope to see you all there.
With Best Regards,
Anurag Anshu