Journal Article (60)
21.
Journal Article
12 (1), pp. 36 - 40 (2016)
Modeling of Spatially Correlated Energetic Disorder in Organic Semiconductors. Journal of Chemical Theory and Computation 22.
Journal Article
94 (1), 014208 (2016)
Finite-size scaling of charge carrier mobility in disordered organic semiconductors. Physical Review B 23.
Journal Article
145 (4), 044104 (2016)
The relative entropy is fundamental to adaptive resolution simulations. The Journal of Chemical Physics 24.
Journal Article
12 (8), pp. 4067 - 4081 (2016)
Adaptive Resolution Simulations with Self-Adjusting High-Resolution Regions. Journal of Chemical Theory and Computation 25.
Journal Article
12 (7), pp. 3030 - 3039 (2016)
From Classical to Quantum and Back: A Hamiltonian Scheme for Adaptive Multiresolution Classical/Path-Integral Simulations. Journal of Chemical Theory and Computation 26.
Journal Article
225 (8-9), pp. 1757 - 1774 (2016)
Breaking a virus: Identifying molecular level failure modes of a viral capsid by multiscale modeling. European Physical Journal - Special Topics 27.
Journal Article
120 (9), pp. 5083 - 5100 (2016)
First-Principles Study of the Structural, Electronic, Dynamic, and Mechanical Properties of HOPG and Diamond: Influence of Exchange-Correlation Functionals and Dispersion Interactions. The Journal of Physical Chemistry C 28.
Journal Article
109 (5), 053902 (2016)
Optimal thickness of silicon membranes to achieve maximum thermoelectric efficiency: A first principles study. Applied Physics Letters 29.
Journal Article
49 (5), 054001 (2016)
Microencapsulation of soybean oil by spray drying using oleosomes. Journal of Physics D: Applied Physics 30.
Journal Article
12 (38), pp. 7995 - 8003 (2016)
Relating side chain organization of PNIPAm with its conformation in aqueous methanol. Soft Matter 31.
Journal Article
93 (2), 023114 (2016)
Transient elasticity and the rheology of polymeric fluids with large amplitude deformations. Physical Review E 32.
Journal Article
93 (2), 023113 (2016)
Transient elasticity and polymeric fluids: Small-amplitude deformations. Physical Review E 33.
Journal Article
8 (10), 347 (2016)
Role of Bending Energy and Knot Chirality in Knot Distribution and Their Effective Interaction along Stretched Semiflexible Polymers. Polymers 34.
Journal Article
114 (5), 50007 (2016)
Chirality modifies the interaction between knots. EPL 35.
Journal Article
145 (23), 234101 (2016)
Adaptive resolution simulation of oligonucleotides. The Journal of Chemical Physics 36.
Journal Article
145 (10), 104701 (2016)
Effect of van der Waals interactions on the chemisorption and physisorption of phenol and phenoxy on metal surfaces. The Journal of Chemical Physics 37.
Journal Article
46 (5), pp. 565 - 595 (2016)
Tetrahedral Order in Liquid Crystals. Brazilian Journal of Physics 38.
Journal Article
55 (10), pp. 857 - 870 (2016)
Hydrodynamics of active polar systems in a (Visco) elastic background. Rheologica Acta 39.
Journal Article
12 (9), pp. 4516 - 4523 (2016)
Long-Range Embedding of Molecular Ions and Excitations in a Polarizable Molecular Environment. Journal of Chemical Theory and Computation 40.
Journal Article
12 (3), pp. 669 - 673 (2016)
Discretized knot motion on a tensioned fiber induced by transverse waves. Soft Matter