Samuel P. Niblett

A foundation model for atomistic materials chemistry

Ilyes Batatia, Philipp Benner, Yuan Chiang et al. · The Journal of Chemical Physics · 2025 · 61 citations · Full text

Dynamics of a molecular glass former: Energy landscapes for diffusion in ortho-terphenyl

Samuel P. Niblett, Vanessa K. de Souza, Jacob D. Stevenson et al. · The Journal of Chemical Physics · 2016 · 37 citations · Full text

Molecular Glass, Molecular Solid, Engineering +15

Defining and quantifying frustration in the energy landscape: Applications to atomic and molecular clusters, biomolecules, jammed and glassy systems

Vanessa K. de Souza, Jacob D. Stevenson, Samuel P. Niblett et al. · The Journal of Chemical Physics · 2017 · 35 citations · Full text

Relaxation Process, Engineering, Molecular Biology +25

Optimal Alignment of Structures for Finite and Periodic Systems

Matthew Griffiths, Samuel P. Niblett, David J. Wales · Journal of Chemical Theory and Computation · 2017 · 32 citations · Full text

Numerical Analysis, Crystal Structure, Engineering +19

Understanding Sorption of Aqueous Electrolytes in Porous Carbon by NMR Spectroscopy

Dongxun Lyu, Katharina Märker, Yuning Zhou et al. · Journal of the American Chemical Society · 2024 · 32 citations · Full text