E-LIB Suche - Ergebnisse für: Izvekov, Sergei

1

Maximum Entropy Theory of Multiscale Coarse-Graining via Ma..:

Izvekov, Sergei ; Kroonblawd, Matthew P. ; Larentzos, James P...
The Journal of Physical Chemistry B. 128 (2024) 12 - p. 2955-2971 , 2024

Link: https://doi.org/10.1021/..

2

Hierarchical Machine Learning of Low-Resolution Coarse-Grai..:

Izvekov, Sergei ; Rice, Betsy M.
Journal of Chemical Theory and Computation. , 2023

Link: https://doi.org/10.1021/..

3

Bottom-up coarse-grain modeling of nanoscale shear bands in..:

Izvekov, Sergei ; Larentzos, James P. ; Brennan, John K..
Journal of Materials Science. 57 (2022) 23 - p. 10627-10648 , 2022

Link: https://doi.org/10.1007/..

4

Bottom-up coarse-grain modeling of plasticity and nanoscale..:

Izvekov, Sergei ; Rice, Betsy M.
The Journal of Chemical Physics. 155 (2021) 6 - p. , 2021

Link: https://doi.org/10.1063/..

5

Mori-Zwanzig projection operator formalism: Particle-based ..:

Izvekov, Sergei
Physical Review E. 104 (2021) 2 - p. , 2021

Link: https://doi.org/10.1103/..

6

Energy localization and excess fluctuations from long-range..:

Chamberlin, Ralph V. ; Mujica, Vladimiro ; Izvekov, Sergei.
Physica A: Statistical Mechanics and its Applications. 540 (2020) - p. 123228 , 2020

Link: https://doi.org/10.1016/..

7

Toward a Predictive Hierarchical Multiscale Modeling Approa..:

, In: Computational Approaches for Chemistry Under Extreme Conditions; Challenges and Advances in Computational Chemistry and Physics,

Barnes, Brian C. ; Brennan, John K. ; Byrd, Edward F. C.... - p. 229-282 , 2019

Link: https://doi.org/10.1007/..

8

Microscopic derivation of coarse-grained, energy-conserving..:

Izvekov, Sergei
The Journal of Chemical Physics. 151 (2019) 10 - p. , 2019

Link: https://doi.org/10.1063/..

9

Multiscale Coarse-Graining with Effective Polarizabilities:..:

Lafond, Patrick G. ; Izvekov, Sergei
Journal of Chemical Theory and Computation. 14 (2018) 4 - p. 1873-1886 , 2018

Link: https://doi.org/10.1021/..

10

Effect of a core-softened O–O interatomic interaction on th..:

Izvekov, Sergei ; Weingarten, N. Scott ; Byrd, Edward F. C.
The Journal of Chemical Physics. 148 (2018) 9 - p. , 2018

Link: https://doi.org/10.1063/..

11

Mori-Zwanzig theory for dissipative forces in coarse-graine..:

Izvekov, Sergei
Physical Review E. 95 (2017) 1 - p. , 2017

Link: https://doi.org/10.1103/..

12

Microscopic derivation of particle-based coarse-grained dyn..:

Izvekov, Sergei
The Journal of Chemical Physics. 146 (2017) 12 - p. , 2017

Link: https://doi.org/10.1063/..

13

Multiscale Coarse-Graining of Polarizable Models through Fo..:

Lafond, Patrick G. ; Izvekov, Sergei
Journal of Chemical Theory and Computation. 12 (2016) 12 - p. 5737-5750 , 2016

Link: https://doi.org/10.1021/..

14

A coarse-grain force field for RDX: Density dependent and e..:

Moore, Joshua D. ; Barnes, Brian C. ; Izvekov, Sergei...
The Journal of Chemical Physics. 144 (2016) 10 - p. 104501 , 2016

Link: https://doi.org/10.1063/..

15

A new parameter-free soft-core potential for silica and its..:

Izvekov, Sergei ; Rice, Betsy M.
The Journal of Chemical Physics. 143 (2015) 24 - p. , 2015

Link: https://doi.org/10.1063/..