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2016
Non-adiabatic reactions: General discussion
Althorpe, S. C., Ananth, N., Angulo, G., Astumian, R. D., Beniwal, V., Blumberger, J., Bolhuis, P. G., Ensing, B., Glowacki, D. R., Habershon, S., Hammes-Schiffer, S., Hele, T. J. H., Makri, N., Manolopoulos, D. E., McKemmish, L. K., Miller, T. F., Miller, W. H., Mulholland, A. J., Nekipelova, T., Pollak, E. & 5 others, , 2016, In: Faraday Discussions. 195, p. 311-344 34 p.Research output: Contribution to journal › Comment/debate › peer-review
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Blip-summed quantum-classical path integral with cumulative quantum memory
Makri, N., 2016, In: Faraday Discussions. 195, p. 81-92 12 p.Research output: Contribution to journal › Article › peer-review
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2019
Modular path integral for discrete systems with non-diagonal couplings
Kundu, S. & Makri, N., Aug 21 2019, In: Journal of Chemical Physics. 151, 7, 074110.Research output: Contribution to journal › Article › peer-review
Open Access -
2016
Direct Computation of Influence Functional Coefficients from Numerical Correlation Functions
Allen, T. C., Walters, P. L. & Makri, N., Sep 13 2016, In: Journal of Chemical Theory and Computation. 12, 9, p. 4169-4177 9 p.Research output: Contribution to journal › Article › peer-review
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Fundamentals: General discussion
Althorpe, S. C., Beniwal, V., Bolhuis, P. G., Brandão, J., Clary, D. C., Ellis, J., Fang, W., Glowacki, D. R., Hele, T. J. H., Jónsson, H., Kästner, J., Makri, N., Manolopoulos, D. E., McKemmish, L. K., Menzl, G., Miller, T. F., Miller, W. H., Pollak, E., Rampino, S., Richardson, J. O. & 5 others, , 2016, In: Faraday Discussions. 195, p. 139-169 31 p.Research output: Contribution to journal › Comment/debate › peer-review
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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, , 2016, In: Faraday Discussions. 195, p. 671-698 28 p.Research output: Contribution to journal › Comment/debate › peer-review
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2017
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: Contribution to journal › Article › peer-review
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2016
New methods: General discussion
Angulo, G., Astumian, R. D., Beniwal, V., Bolhuis, P. G., Dellago, C., Ellis, J., Ensing, B., Glowacki, D. R., Hammes-Schiffer, S., Kästner, J., Lelièvre, T., Makri, N., Manolopoulos, D., Menzl, G., Miller, T. F., Mulholland, A., Oprzeska-Zingrebe, E. A., Parrinello, M., Pollak, E., Proppe, J. & 12 others, , 2016, In: Faraday Discussions. 195, p. 521-556 36 p.Research output: Contribution to journal › Comment/debate › peer-review
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2019
Quantum-classical path integral with a harmonic treatment of the back-reaction
Wang, F. & Makri, N., May 14 2019, In: Journal of Chemical Physics. 150, 18, 184102.Research output: Contribution to journal › Article › peer-review
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2018
Communication: Modular path integral: Quantum dynamics via sequential necklace linking
Makri, N., Mar 14 2018, In: Journal of Chemical Physics. 148, 10, 101101.Research output: Contribution to journal › Article › peer-review
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Modular path integral methodology for real-time quantum dynamics
Makri, N., Dec 7 2018, In: Journal of Chemical Physics. 149, 21, 214108.Research output: Contribution to journal › Article › peer-review
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2017
Iterative blip-summed path integral for quantum dynamics in strongly dissipative environments
Makri, N., Apr 7 2017, In: Journal of Chemical Physics. 146, 13, 134101.Research output: Contribution to journal › Article › peer-review
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2019
Quasiclassical Correlation Functions from the Wigner Density Using the Stability Matrix
Bose, A. & Makri, N., May 28 2019, In: Journal of Chemical Information and Modeling. 59, 5, p. 2165-2174 10 p.Research output: Contribution to journal › Article › peer-review
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2016
Iterative quantum-classical path integral with dynamically consistent state hopping
Walters, P. L. & Makri, N., Jan 28 2016, In: Journal of Chemical Physics. 144, 4, 044108.Research output: Contribution to journal › Article › peer-review
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2018
Wigner Distribution by Adiabatic Switching in Normal Mode or Cartesian Coordinates and Molecular Applications
Bose, A. & Makri, N., Nov 13 2018, In: Journal of Chemical Theory and Computation. 14, 11, p. 5446-5458 13 p.Research output: Contribution to journal › Article › peer-review
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2019
Coherent State-Based Path Integral Methodology for Computing the Wigner Phase Space Distribution
Bose, A. & Makri, N., May 16 2019, In: Journal of Physical Chemistry A. 123, 19, p. 4284-4294 11 p.Research output: Contribution to journal › Article › peer-review
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Real-Time Path Integral Methods, Quantum Master Equations, and Classical vs Quantum Memory
Chatterjee, S. & Makri, N., Dec 12 2019, In: Journal of Physical Chemistry B. 123, 49, p. 10470-10482 13 p.Research output: Contribution to journal › Article › peer-review
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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: Contribution to journal › Article › peer-review