| 1 |
Efficient potential of mean force calculation from multiscale simulations: Solute insertion in a lipid membrane
Menichetti R, Kremer K, Bereau T
Biochemical and Biophysical Research Communications, 498(2), 282, 2018 |
| 2 |
Coarse-grained A-graft-B model of poly(lactic acid) for molecular dynamics simulations
Glagolev M, Glova A, Mezhenskaia D, Falkovich S, Larin S, Vasilevskaya V, Lyulin S
Journal of Polymer Science Part B: Polymer Physics, 56(7), 604, 2018 |
| 3 |
Multiscale modeling of glass transition in polymeric films: Application to stereoregular poly(methyl methacrylate)s
Wu CF
Polymer, 146, 91, 2018 |
| 4 |
Effect of Mesoscale Ordering on the Density of States of Polymeric Semiconductors
Gemunden P, Poelking C, Kremer K, Daoulas K, Andrienko D
Macromolecular Rapid Communications, 36(11), 1047, 2015 |
| 5 |
Improved design of metal-organic frameworks for efficient hydrogen storage at ambient temperature: A multiscale theoretical investigation
Volkova EI, Vakhrushey AV, Suyetin M
International Journal of Hydrogen Energy, 39(16), 8347, 2014 |
| 6 |
Multiscale models of sweep gas and porous support effects on zeolite membranes
Skoulidas AI, Sholl DS
AIChE Journal, 51(3), 867, 2005 |
| 7 |
Net-event kinetic Monte Carlo for overcoming stiffness in spatially homogeneous and distributed systems
Snyder MA, Chatterjee A, Vlachos DG
Computers & Chemical Engineering, 29(4), 701, 2005 |
| 8 |
Multiscale morphological analysis of commingled PP/unidirectional glass fiber composites: Experiment and theory
Dubouloz-Monnet F, Mele P, Alberola ND
Journal of Applied Polymer Science, 97(3), 1038, 2005 |
| 9 |
Coupled mesoscale - Continuum simulations of copper electrodeposition in a trench
Drews TO, Webb EG, Ma DL, Alameda J, Braatz RD, Alkire RC
AIChE Journal, 50(1), 226, 2004 |
