Benjamin X Shi

13PUBLICATIONS
120CO-AUTHORS
Theoretical quantum chemistryNonlinear optics and spectroscopyComputational chemistryComputational complexity and computabilityStatistical mechanics in chemistry
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Publications (13)

|Sep 22, 2026
Improving the accuracy of fixed-node diffusion Monte Carlo for non-covalent interactions.

|Apr 27, 2026
Nuclear quantum effects amplify autoionization-driven superionic behaviour in nanoconfined monolayer water.

|Nov 13, 2025
A foundation model for atomistic materials chemistry.

Ilyes Batatia, Philipp Benner, Yuan Chiang

|Nov 07, 2025
Towards Routine Condensed Phase Simulations with Delta-Learned Coupled Cluster Accuracy: Application to Liquid Water.

Niamh O'Neill, Benjamin X Shi, William J Baldwin

|Sep 08, 2025
Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water-methane dimer.

Flaviano Della Pia, Benjamin X Shi, Yasmine S Al-Hamdani

|Aug 13, 2025
An accurate and efficient framework for modelling the surface chemistry of ionic materials.

Benjamin X Shi, Andrew S Rosen, Tobias Schäfer

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Frequent Collaborators

11 joint publications

Angelos Michaelides

7 joint publications

Andrea Zen

5 joint publications

Dario Alfè

5 joint publications

Venkat Kapil