Althorpe Group

Publications

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  • Currently displaying 1 - 20 of 110 publications
Author(s)
Publication title
Journal Name
Publication year
Unveiling the scaling laws behind spin-phonon enhanced decorrelation in spin chains
I Srpak, MJ Willatt, SC Althorpe, A Alavi
Physical Review B
(2025)
112
(doi: 10.1103/11dp-8sm4)
Thermal quenching of classical and semiclassical scrambling.
VG Sadhasivam, AC Hunt, L Meuser, Y Litman, SC Althorpe
Phys Rev E
(2024)
110
(doi: 10.1103/physreve.110.l012204)
Quantum rates in dissipative systems with spatially varying friction
O Bridge, P Lazzaroni, R Martinazzo, M Rossi, SC Althorpe, Y Litman
The Journal of Chemical Physics
(2024)
161
(doi: 10.1063/5.0216823)
Path Integral Simulations of Condensed-Phase Vibrational Spectroscopy
SC Althorpe
Annual review of physical chemistry
(2024)
75
(doi: 10.1146/annurev-physchem-090722-124705)
Instantons and the quantum bound to chaos.
VG Sadhasivam, L Meuser, DR Reichman, SC Althorpe
Proceedings of the National Academy of Sciences
(2023)
120
(doi: 10.1073/pnas.2312378120)
Comparison of Matsubara dynamics with exact quantum dynamics for an oscillator coupled to a dissipative bath
A Prada, ES Pós, SC Althorpe
The Journal of Chemical Physics
(2023)
158
(doi: 10.1063/5.0138250)
Improved torque estimator for condensed-phase quasicentroid molecular dynamics
G Trenins, C Haggard, SC Althorpe
The Journal of chemical physics
(2022)
157
(doi: 10.1063/5.0129482)
Testing the quasicentroid molecular dynamics method on gas-phase ammonia.
C Haggard, VG Sadhasivam, G Trenins, SC Althorpe
The Journal of chemical physics
(2021)
155
(doi: 10.1063/5.0068250)
On the "Matsubara heating" of overtone intensities and Fermi splittings
RL Benson, SC Althorpe
J Chem Phys
(2021)
155
(doi: 10.1063/5.0056829)
Path-integral approximations to quantum dynamics
SC Althorpe
European Physical Journal B
(2021)
94
(doi: 10.1140/epjb/s10051-021-00155-2)
Zero-point energy and tunnelling: general discussion.
SC Althorpe, AM Alvertis, W Barford, RL Benson, I Burghardt, S Giannini, S Habershon, S Hammes-Schiffer, S Hay, S Iyengar, A Kelly, K Komarova, J Lawrence, Y Litman, C Martens, RJ Maurer, D Plant, M Rossi, K Sakaushi, A Schile, S Sturniolo, DP Tew, G Trenins, G Worth
Faraday discussions
(2020)
221
(doi: 10.1039/C9FD90075F)
Which quantum statistics-classical dynamics method is best for water?
RL Benson, G Trenins, SC Althorpe
Faraday discussions
(2020)
221
(doi: 10.1039/c9fd00077a)
Tunneling Splittings in Water Clusters from Path Integral Molecular Dynamics
CL Vaillant, DJ Wales, SC Althorpe
The Journal of Physical Chemistry Letters
(2019)
10
(doi: 10.1021/acs.jpclett.9b02951)
Path-integral dynamics of water using curvilinear centroids
G Trenins, MJ Willatt, SC Althorpe
The Journal of Chemical Physics
(2019)
151
(doi: 10.1063/1.5100587)
Mean-field Matsubara dynamics: Analysis of path-integral curvature effects in rovibrational spectra
SC Althorpe, G Trenins
J Chem Phys
(2018)
149
(doi: 10.1063/1.5038616)
Tunneling splittings from path-integral molecular dynamics using a Langevin thermostat
CL Vaillant, DJ Wales, SC Althorpe
The Journal of chemical physics
(2018)
148
(doi: 10.1063/1.5029258)
Approximating Matsubara dynamics using the planetary model: Tests on liquid water and ice.
MJ Willatt, M Ceriotti, SC Althorpe
Journal of Chemical Physics
(2018)
148
(doi: 10.1063/1.5004808)
Path Integral Energy Landscapes for Water Dimer
CL Vaillant, SC Althorpe, DJ Wales
J Chem Theory Comput
(2018)
15
(doi: 10.1021/acs.jctc.8b00675)
Application to large systems: general discussion
S Althorpe, G Angulo, RD Astumian, V Beniwal, PG Bolhuis, J Brandão, J Ellis, W Fang, DR Glowacki, S Hammes-Schiffer, TJH Hele, H Jónsson, T Lelièvre, N Makri, D Manolopoulos, AM Mebel, G Menzl, TF Miller, M Parrinello, PM Piaggi, E Pollak, P Roy Chowdhury, E Sanz, D Shalashilin, E Skúlason, R Spezia, S Taraphder
Faraday discussions
(2016)
195
(doi: 10.1039/C6FD90076C)
Non-equilibrium dynamics from RPMD and CMD.
R Welsch, K Song, Q Shi, SC Althorpe, TF Miller
The Journal of chemical physics
(2016)
145
(doi: 10.1063/1.4967958)
Yusuf Hamied Department of Chemistry
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