Publications by authors named "Benjamin X Shi"

Claim this Profile
A
An accurate and efficient framework for modelling the surface chemistry of ionic materials.
Benjamin X Shi, Andrew S Rosen, Tobias Schäfer, Andreas Grüneis, Venkat Kapil

Nat Chem· November 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
Towards Routine Condensed Phase Simulations with Delta-Learned Coupled Cluster Accuracy: Application to Liquid Water.
Niamh O'Neill, Benjamin X Shi, William J Baldwin, William C Witt, Gábor Csányi

J Chem Theory Comput· November 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
A foundation model for atomistic materials chemistry.
Ilyes Batatia, Philipp Benner, Yuan Chiang, Alin M Elena, Dávid P Kovács, Benjamin X Shi

J Chem Phys· November 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
R
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, Dario Alfé, Tyler A Anderson, Ravindra Shinde

J Chem Phys· September 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
Accurate and efficient machine learning interatomic potentials for finite temperature modelling of molecular crystals.
Flaviano Della Pia, Benjamin X Shi, Venkat Kapil, Andrea Zen, Dario Alfè

Chem Sci· June 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
B
Basis Set Incompleteness Errors in Fixed-Node Diffusion Monte Carlo Calculations on Noncovalent Interactions.
Kousuke Nakano, Benjamin X Shi, Dario Alfè, Andrea Zen

J Chem Theory Comput· May 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
S
Systematic discrepancies between reference methods for noncovalent interactions within the S66 dataset.
Benjamin X Shi, Flaviano Della Pia, Yasmine S Al-Hamdani, Angelos Michaelides, Dario Alfè

J Chem Phys· April 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
D
Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies.
Harveen Kaur, Flaviano Della Pia, Ilyes Batatia, Xavier R Advincula, Benjamin X Shi

Faraday Discuss· January 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
N
Novel perturbative and variational methods for stronger correlations: general discussion.
Vibin Abraham, Kemal Atalar, Kenneth O Berard, George H Booth, Hugh G A Burton, Benjamin X Shi

Faraday Discuss· November 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
S
Stochastic and low-scaling techniques/extended systems: general discussion.
Ali Alavi, Kemal Atalar, Timothy C Berkelbach, George H Booth, Ji Chen, Benjamin Xu Shi

Faraday Discuss· November 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
C
Correlation in extended systems: general discussion.
Ali Alavi, Kemal Atalar, Timothy C Berkelbach, George H Booth, Garnet Kin-Lic Chan, Benjamin X Shi

Faraday Discuss· November 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
S
Stochastic and low-scaling techniques: general discussion.
Ali Alavi, Marcus Allen, Kemal Atalar, Timothy C Berkelbach, George H Booth, Benjamin X Shi

Faraday Discuss· November 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
To Pair or not to Pair? Machine-Learned Explicitly-Correlated Electronic Structure for NaCl in Water.
Niamh O'Neill, Benjamin X Shi, Kara Fong, Angelos Michaelides, Christoph Schran

J Phys Chem Lett· June 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
G
Going for Gold(-Standard): Attaining Coupled Cluster Accuracy in Oxide-Supported Nanoclusters.
Benjamin X Shi, David J Wales, Angelos Michaelides, Chang Woo Myung

J Chem Theory Comput· June 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
M
Many-Body Methods for Surface Chemistry Come of Age: Achieving Consensus with Experiments.
Benjamin X Shi, Andrea Zen, Venkat Kapil, Péter R Nagy, Andreas Grüneis

J Am Chem Soc· November 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
G
General embedded cluster protocol for accurate modeling of oxygen vacancies in metal-oxides.
Benjamin X Shi, Venkat Kapil, Andrea Zen, Ji Chen, Ali Alavi

J Chem Phys· March 2022

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis