Publications of Raffaello Potestio
All genres
Journal Article (43)
21.
Journal Article
225 (8-9), pp. 1505 - 1526 (2016)
Accurate and general treatment of electrostatic interaction in Hamiltonian adaptive resolution simulations. European Physical Journal - Special Topics 22.
Journal Article
145 (4), 044104 (2016)
The relative entropy is fundamental to adaptive resolution simulations. The Journal of Chemical Physics 23.
Journal Article
12 (8), pp. 4067 - 4081 (2016)
Adaptive Resolution Simulations with Self-Adjusting High-Resolution Regions. Journal of Chemical Theory and Computation 24.
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 25.
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 26.
Journal Article
114 (5), 50007 (2016)
Chirality modifies the interaction between knots. EPL 27.
Journal Article
145 (23), 234101 (2016)
Adaptive resolution simulation of oligonucleotides. The Journal of Chemical Physics 28.
Journal Article
12 (3), pp. 669 - 673 (2016)
Discretized knot motion on a tensioned fiber induced by transverse waves. Soft Matter 29.
Journal Article
142 (6 ), 064115 (2015)
Statistical mechanics of Hamiltonian adaptive resolution simulations. The Journal of Chemical Physics 30.
Journal Article
142 (19 ), 195101 (2015)
Adaptive resolution simulation of a biomolecule and its hydration shell: Structural and dynamical properties. The Journal of Chemical Physics 31.
Journal Article
224 (12), pp. 2505 - 2506 (2015)
Reply to comments by R. Klein on Advantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulations. European Physical Journal 32.
Journal Article
224 (12), pp. 2289 - 2304 (2015)
Advantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulations. European Physical Journal 33.
Journal Article
10 (7), e0132132 (2015)
Two Adhesive Sites Can Enhance the Knotting Probability of DNA. PLoS One 34.
Journal Article
143 (24), 243121 (2015)
Folding of small knotted proteins: Insights from a mean field coarse-grained model. The Journal of Chemical Physics 35.
Journal Article
10 (2), pp. 816 - 824 (2014)
Nuclear Quantum Effects in Water: A Multiscale Study. Journal of Chemical Theory and Computation 36.
Journal Article
108 (3), 30007 (2014)
A unified framework for force-based and energy-based adaptive resolution simulations. EPL 37.
Journal Article
87 (10), 245 (2014)
Computer simulation of particles with position-dependent mass. European Physical Journal B 38.
Journal Article
16 (8), pp. 4199 - 4245 (2014)
Computer Simulations of Soft Matter: Linking the Scales. Entropy 39.
Journal Article
9 (11), e1003331 (2013)
Mechanical and Assembly Units of Viral Capsids Identified via Quasi-Rigid Domain Decomposition. PLoS Computational Biology 40.
Journal Article
111 (6), 060601 (2013)
Monte Carlo Adaptive Resolution Simulation of Multicomponent Molecular Liquids. Physical Review Letters