Publikationen von Raffaello Potestio

Zeitschriftenartikel (43)

2016
Zeitschriftenartikel
Heidari, M.; Cortes-Huerto, R.; Donadio, D.; Potestio, R.: Accurate and general treatment of electrostatic interaction in Hamiltonian adaptive resolution simulations. European Physical Journal - Special Topics 225 (8-9), S. 1505 - 1526 (2016)
Zeitschriftenartikel
Kreis, K.; Potestio, R.: The relative entropy is fundamental to adaptive resolution simulations. The Journal of Chemical Physics 145 (4), 044104 (2016)
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Kreis, K.; Potestio, R.; Kremer, K.; Fogarty, A. C.: Adaptive Resolution Simulations with Self-Adjusting High-Resolution Regions. Journal of Chemical Theory and Computation 12 (8), S. 4067 - 4081 (2016)
Zeitschriftenartikel
Kreis, K.; Tuckerman, M. E.; Donadio, D.; Kremer, K.; Potestio, R.: From Classical to Quantum and Back: A Hamiltonian Scheme for Adaptive Multiresolution Classical/Path-Integral Simulations. Journal of Chemical Theory and Computation 12 (7), S. 3030 - 3039 (2016)
Zeitschriftenartikel
Najafi, S.; Podgornik, R.; Potestio, R.; Tubiana, L.: Role of Bending Energy and Knot Chirality in Knot Distribution and Their Effective Interaction along Stretched Semiflexible Polymers. Polymers 8 (10), 347 (2016)
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Najafi, S.; Tubiana, L.; Podgornik, R.; Potestio, R.: Chirality modifies the interaction between knots. EPL 114 (5), 50007 (2016)
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Netz, P. A.; Potestio, R.; Kremer, K.: Adaptive resolution simulation of oligonucleotides. The Journal of Chemical Physics 145 (23), 234101 (2016)
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Potestio, R.; Tubiana, L.: Discretized knot motion on a tensioned fiber induced by transverse waves. Soft Matter 12 (3), S. 669 - 673 (2016)
2015
Zeitschriftenartikel
Espanol, P.; Delgado-Buscalioni, R.; Everaers, R.; Potestio, R.; Donadio, D.; Kremer, K.: Statistical mechanics of Hamiltonian adaptive resolution simulations. The Journal of Chemical Physics 142 (6 ), 064115 (2015)
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Fogarty, A. C.; Potestio, R.; Kremer, K.: Adaptive resolution simulation of a biomolecule and its hydration shell: Structural and dynamical properties. The Journal of Chemical Physics 142 (19 ), 195101 (2015)
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Kreis, K.; Fogarty, A. C.; Kremer, K.; Potestio, R.: 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 224 (12), S. 2505 - 2506 (2015)
Zeitschriftenartikel
Kreis, K.; Fogarty, A. C.; Kremer, K.; Potestio, R.: Advantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulations. European Physical Journal 224 (12), S. 2289 - 2304 (2015)
Zeitschriftenartikel
Najafi, S.; Potestio, R.: Two Adhesive Sites Can Enhance the Knotting Probability of DNA. PLoS One 10 (7), e0132132 (2015)
Zeitschriftenartikel
Najafi, S.; Potestio, R.: Folding of small knotted proteins: Insights from a mean field coarse-grained model. The Journal of Chemical Physics 143 (24), 243121 (2015)
2014
Zeitschriftenartikel
Fritsch, S.; Potestio, R.; Donadio, D.; Kremer, K.: Nuclear Quantum Effects in Water: A Multiscale Study. Journal of Chemical Theory and Computation 10 (2), S. 816 - 824 (2014)
Zeitschriftenartikel
Kreis, K.; Donadio, D.; Kremer, K.; Potestio, R.: A unified framework for force-based and energy-based adaptive resolution simulations. EPL 108 (3), 30007 (2014)
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Potestio, R.: Computer simulation of particles with position-dependent mass. European Physical Journal B 87 (10), 245 (2014)
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Potestio, R.; Peter, C.; Kremer, K.: Computer Simulations of Soft Matter: Linking the Scales. Entropy 16 (8), S. 4199 - 4245 (2014)
2013
Zeitschriftenartikel
Polles, G.; Indelicato, G.; Potestio, R.; Cermelli, P.; Twarock, R.; Micheletti, C.: Mechanical and Assembly Units of Viral Capsids Identified via Quasi-Rigid Domain Decomposition. PLoS Computational Biology 9 (11), e1003331 (2013)
Zeitschriftenartikel
Potestio, R.; Espanol, P.; Delgado-Buscalioni, R.; Everaers, R.; Kremer, K.; Donadio, D.: Monte Carlo Adaptive Resolution Simulation of Multicomponent Molecular Liquids. Physical Review Letters 111 (6), 060601 (2013)
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