Assistant Prof, Rice Chemistry | NIH Postdoctoral Fellow, UC Berkeley | PhD, Columbia | BA, Princeton
Houston, TX
Joined October 2016
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Two ~new preprints from my group pushing the boundaries of the AFQMC method:
First-order response properties (with a focus on electric dipole moments): arxiv.org/abs/2509.18500
Noncovalent interaction energies:
chemrxiv.org/engage/chemrxiv…
James Shee retweeted
Aged just 17, @james_shee received an admission offer from @Princeton. However, he was also asked by the @sfballet to stay on as a trainee. He had a daunting decision to make.
chemistryworld.com/careers/f…
James Shee retweeted
Quantum-computing wavefunctions (from sample-based quantum diagonalization) used as trial wavefunctions in auxiliary-field quantum Monte Carlo (AFQMC), in a new preprint with @james_shee Don Danilov (@RiceUniversity) @JRobledoMoreno and Kevin Sung (@IBM) arxiv.org/abs/2503.05967
James Shee retweeted
"Princeton showed me that academia is a special place, where one can seek beauty and understanding…almost infinitely."
@james_shee '14, a quantum chemist, found a way to break down barriers between "disconnected disciplines" during his time at Princeton: bit.ly/419TgnH
ALT James headshot
ALT James leaping over other dancers
ALT James and Mariana on their wedding day at Princeton
ALT James and Mariana dancing at Princeton
Happy to share 3 papers published last month:
A generalized ph-AFQMC model for strong correlation
pubs.acs.org/doi/abs/10.1021…
Quantum simulation algorithm for spin Hamiltonians
nature.com/articles/s41567-0…
New design principle for organic redox flow batteries
pubs.acs.org/doi/full/10.102…
James Shee retweeted
#Mathematical analysis suggests the potential existence of paraparticles, challenging the traditional boson-fermion classification in #QuantumMechanics, and opening new avenues in theoretical physics. @RiceUniversity @nature doi.org/g8x4zk phys.org/news/2025-01-mathem…
James Shee retweeted
Excited to share @mtzlab 's venture into periodic quantum chemistry. All-electron hybrid DFT on unit cells with hundreds (or few thousands) of atoms in the timescale of hours, with quadratic scaling vs system size. GPUs+Gaussian orbitals ftw. #compchem
arxiv.org/abs/2410.22278
James Shee retweeted
"We're growing the university by about 30%, something you don't usually see at private institutions," President @RDesRoches said. This expansion will help Rice leverage its location in #Houston to tackle energy, health care and urban challenges.
news.rice.edu/news/2024/rice… #Texas
James Shee retweeted
I’m thrilled to announce that I’ll be starting as an Assistant Professor at Princeton in January 2025, in the Department of Chemistry and the Princeton Materials Institute! @PrincetonMSE @PrincetonChem 🥳
A packed seminar room earlier today cheering on Prof. Julian West during his (very impressive) tenure talk! 💪🏻🤩@pushingarrows @RiceUniversity
3rd paper from the Shee lab now on ChemRxiv, on the remarkable ability of ph-AFQMC with symmetry-broken GHF trial wavefunctions to capture strong correlation. A great team effort from postdocs Don Danilov and Brad Ganoe, and undergrad Mark Munyi.
chemrxiv.org/engage/chemrxiv…
Optimization algorithms matter in quantum chemistry (especially in the strongly correlated regime) and deserve as much attention as wavefunction ansatzes. New preprint with @MMotta314 @IBMResearch
arxiv.org/abs/2408.01833
Congrats to Dr. Brad Ganoe, the Shee Lab’s first postdoc, for winning a prestigious fellowship from the @WelchFoundation!
The Welch Foundation announces the recipients of the WelchX Pilot, Catalyst for Discovery Program, and Postdoctoral Fellows Grants. These programs are vital in advancing chemistry and attracting top research talent to Texas. buff.ly/3ykvkDW
Congrats Mark Munyi from the Shee Lab for winning the top poster prize at the @ChemistryRice Summer Poster Session!
James Shee retweeted
***We are hiring!***
My group is looking for a postdoc with comp chem experience to join us at @UTDallasChemBio from August '24.
You can find out more about the position and submit your application here: jobs.utdallas.edu/postings/2…
Please share!
#compchem
James Shee retweeted
Pioneering Rice University chemist Gustavo Scuseria has won the 2024 Schrödinger Medal from the World Association of Theoretical and Computational Chemists. The annual award recognizes an outstanding body of work in theoretical and computational chemistry. bit.ly/3Kl00qO
