Articles with public access mandates - Ruslan L DavidchackLearn more
Not available anywhere: 3
Shuttleworth equation: A molecular simulations perspective
N Di Pasquale, RL Davidchack
The Journal of Chemical Physics 153 (15), 2020
Mandates: UK Engineering and Physical Sciences Research Council
Unveiling the influence of interfacial bonding and dynamics on solid/liquid interfacial structures: An ab initio molecular dynamics study of (0001) sapphire-liquid Al …
S Ma, R Yan, N Zong, RL Davidchack, T Jing, H Dong
Physical Review Materials 4 (2), 023401, 2020
Mandates: National Natural Science Foundation of China, UK Engineering and Physical …
Structural and mechanical properties of homogeneous solid-liquid interface of Al modelled with COMB3 potential
R Yan, WZ Sun, SD Ma, RL Davidchack, N Di Pasquale, QJ Zhai, T Jing, ...
Computational Materials Science 155, 136-143, 2018
Mandates: National Natural Science Foundation of China, UK Engineering and Physical …
Available somewhere: 8
New Langevin and gradient thermostats for rigid body dynamics
RL Davidchack, TE Ouldridge, MV Tretyakov
The Journal of chemical physics 142 (14), 2015
Mandates: UK Engineering and Physical Sciences Research Council
Atomistics of pre-nucleation layering of liquid metals at the interface with poor nucleants
S Ma, AJ Brown, R Yan, RL Davidchack, PB Howes, C Nicklin, Q Zhai, ...
Communications Chemistry 2 (1), 1, 2019
Mandates: National Natural Science Foundation of China
Surface free energy of a hard-sphere fluid at curved walls: Deviations from morphometric thermodynamics
RL Davidchack, BB Laird
The Journal of chemical physics 149 (17), 2018
Mandates: US National Science Foundation
Properties of the hard-sphere fluid at a planar wall using virial series and molecular-dynamics simulation
IE Paganini, RL Davidchack, BB Laird, I Urrutia
The Journal of Chemical Physics 149 (1), 2018
Mandates: US National Science Foundation, Government of Argentina
Geometric integrator for Langevin systems with quaternion-based rotational degrees of freedom and hydrodynamic interactions
RL Davidchack, TE Ouldridge, MV Tretyakov
The Journal of chemical physics 147 (22), 2017
Mandates: UK Engineering and Physical Sciences Research Council
Cleaving Method for Molecular Crystals and Its Application to Calculation of the Surface Free Energy of Crystalline β-d-Mannitol at Room Temperature
N Di Pasquale, RL Davidchack
The Journal of Physical Chemistry A 126 (13), 2134-2141, 2022
Mandates: UK Engineering and Physical Sciences Research Council
Mold: a LAMMPS package to compute interfacial free energies and nucleation rates
AR Tejedor, I Sanchez-Burgos, E Sanz, C Vega, FJ Blas, RL Davidchack, ...
Journal of Open Source Software 9 (95), 6083, 2024
Mandates: UK Engineering and Physical Sciences Research Council, European Commission
Atomistics of pre-nucleation layering of liquid metals at the interface with poor nucleants
H Dong, S Ma, AJ Brown, R Yan, RL Davidchack, PB Howes, C Nicklin, ...
University of Leicester, 2019
Mandates: National Natural Science Foundation of China
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