Publications of Raffaello Potestio
All genres
Journal Article (43)
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
Journal Article
145 (4), 044104 (2016)
The relative entropy is fundamental to adaptive resolution simulations. The Journal of Chemical Physics
Journal Article
12 (8), pp. 4067 - 4081 (2016)
Adaptive Resolution Simulations with Self-Adjusting High-Resolution Regions. Journal of Chemical Theory and Computation
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
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
Journal Article
114 (5), 50007 (2016)
Chirality modifies the interaction between knots. EPL
Journal Article
145 (23), 234101 (2016)
Adaptive resolution simulation of oligonucleotides. The Journal of Chemical Physics
Journal Article
12 (3), pp. 669 - 673 (2016)
Discretized knot motion on a tensioned fiber induced by transverse waves. Soft Matter
Journal Article
142 (6 ), 064115 (2015)
Statistical mechanics of Hamiltonian adaptive resolution simulations. The Journal of Chemical Physics
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
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
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
Journal Article
10 (7), e0132132 (2015)
Two Adhesive Sites Can Enhance the Knotting Probability of DNA. PLoS One
Journal Article
143 (24), 243121 (2015)
Folding of small knotted proteins: Insights from a mean field coarse-grained model. The Journal of Chemical Physics
Journal Article
10 (2), pp. 816 - 824 (2014)
Nuclear Quantum Effects in Water: A Multiscale Study. Journal of Chemical Theory and Computation
Journal Article
108 (3), 30007 (2014)
A unified framework for force-based and energy-based adaptive resolution simulations. EPL
Journal Article
87 (10), 245 (2014)
Computer simulation of particles with position-dependent mass. European Physical Journal B
Journal Article
16 (8), pp. 4199 - 4245 (2014)
Computer Simulations of Soft Matter: Linking the Scales. Entropy
Journal Article
9 (11), e1003331 (2013)
Mechanical and Assembly Units of Viral Capsids Identified via Quasi-Rigid Domain Decomposition. PLoS Computational Biology
Journal Article
111 (6), 060601 (2013)
Monte Carlo Adaptive Resolution Simulation of Multicomponent Molecular Liquids. Physical Review Letters