Fingerprint Fingerprint is based on mining the text of the expert's scholarly documents to create an index of weighted terms, which defines the key subjects of each individual researcher.

  • 2 Similar Profiles
propagation Physics & Astronomy
baths Physics & Astronomy
Temperature Chemical Compounds
approximation Physics & Astronomy
trajectories Physics & Astronomy
methodology Physics & Astronomy
Data storage equipment Chemical Compounds
formulations Physics & Astronomy

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Research Output 1986 2017

Direct determination of discrete harmonic bath parameters from molecular dynamics simulations

Walters, P. L., Allen, T. C. & Makri, N. Jan 15 2017 In : Journal of Computational Chemistry. 38, 2, p. 110-115 6 p.

Research output: Research - peer-reviewArticle

Molecular Dynamics Simulation
Harmonic
Spectral density
Molecular dynamics
Computer simulation
Data storage equipment
baths
Decomposition
decomposition
enumeration

Non-equilibrium reactive flux: A unified framework for slow and fast reaction kinetics

Bose, A. & Makri, N. Oct 21 2017 In : Journal of Chemical Physics. 147, 15, 152723

Research output: Research - peer-reviewArticle

Reaction kinetics
Fluxes
reaction kinetics
plateaus
Reaction rates

Application to large systems: General discussion

Althorpe, S. , Angulo, G. , Astumian, R. D. , Beniwal, V. , Bolhuis, P. G. , Brandão, J. , Ellis, J. , Fang, W. , Glowacki, D. R. , Hammes-Schiffer, S. , Hele, T. J. H. , Jónsson, H. , Lelièvre, T. , Makri, N. , Manolopoulos, D. , Mebel, A. M. , Menzl, G. , Miller, T. F. , Parrinello, M. , Piaggi, P. M. & 7 others Pollak, E., Roy Chowdhury, P., Sanz, E., Shalashilin, D., Skúlason, E., Spezia, R. & Taraphder, S. 2016 In : Faraday Discussions. 195, p. 671-698 28 p.

Research output: Research - peer-reviewComment/debate

Blip-summed quantum-classical path integral with cumulative quantum memory

Makri, N. 2016 In : Faraday Discussions. 195, p. 81-92 12 p.

Research output: Research - peer-reviewArticle

Hamiltonians
Decomposition
Data storage equipment
Baths
baths