Robust microscale superlubricity in graphite/hexagonal boron nitride layered heterojunctions Y Song, D Mandelli, O Hod, M Urbakh, M Ma, Q Zheng
Nature materials 17 (10), 894-899, 2018
412 2018 Nanoserpents: Graphene nanoribbon motion on two-dimensional hexagonal materials W Ouyang, D Mandelli, M Urbakh, O Hod
Nano letters 18 (9), 6009-6016, 2018
161 2018 Sliding friction of graphene/hexagonal–boron nitride heterojunctions: a route to robust superlubricity D Mandelli, I Leven, O Hod, M Urbakh
Scientific reports 7 (1), 10851, 2017
146 2017 Emergent M Angeli, D Mandelli, A Valli, A Amaricci, M Capone, E Tosatti, M Fabrizio
Physical Review B 98 (23), 235137, 2018
92 2018 Negative friction coefficients in superlubric graphite–hexagonal boron nitride heterojunctions D Mandelli, W Ouyang, O Hod, M Urbakh
Physical Review Letters 122 (7), 076102, 2019
90 2019 Static friction scaling of physisorbed islands: the key is in the edge N Varini, A Vanossi, R Guerra, D Mandelli, R Capozza, E Tosatti
Nanoscale 7 (5), 2093-2101, 2015
58 2015 Mechanical and tribological properties of layered materials under high pressure: assessing the importance of many-body dispersion effects W Ouyang, I Azuri, D Mandelli, A Tkatchenko, L Kronik, M Urbakh, O Hod
Journal of Chemical Theory and Computation 16 (1), 666-676, 2019
56 2019 Enhanced-sampling simulations for the estimation of ligand binding kinetics: current status and perspective K Ahmad, A Rizzi, R Capelli, D Mandelli, W Lyu, P Carloni
Frontiers in molecular biosciences 9, 899805, 2022
51 2022 Superlubric-pinned transition in sliding incommensurate colloidal monolayers D Mandelli, A Vanossi, M Invernizzi, S Paronuzzi, N Manini, E Tosatti
Physical Review B 92 (13), 134306, 2015
39 2015 Metadynamics of paths D Mandelli, B Hirshberg, M Parrinello
Physical review letters 125 (2), 026001, 2020
37 2020 The princess and the nanoscale pea: long-range penetration of surface distortions into layered materials stacks D Mandelli, W Ouyang, M Urbakh, O Hod
ACS nano 13 (7), 7603-7609, 2019
35 2019 Friction boosted by equilibrium misalignment of incommensurate two-dimensional colloid monolayers D Mandelli, A Vanossi, N Manini, E Tosatti
Physical Review Letters 114 (10), 108302, 2015
35 2015 Drug design in the exascale era: a perspective from massively parallel QM/MM simulations B Raghavan, M Paulikat, K Ahmad, L Callea, A Rizzi, E Ippoliti, ...
Journal of chemical information and modeling 63 (12), 3647-3658, 2023
34 2023 Stick-slip nanofriction in trapped cold ion chains D Mandelli, A Vanossi, E Tosatti
Physical Review B—Condensed Matter and Materials Physics 87 (19), 195418, 2013
32 2013 Static friction boost in edge-driven incommensurate contacts D Mandelli, R Guerra, W Ouyang, M Urbakh, A Vanossi
Physical Review Materials 2 (4), 046001, 2018
14 2018 Density functional study of the TiN/Ge2 Sb2 Te5 interface D Mandelli, S Caravati, M Bernasconi
physica status solidi (b) 249 (11), 2140-2144, 2012
12 2012 Finite-temperature phase diagram and critical point of the Aubry pinned-sliding transition in a two-dimensional monolayer D Mandelli, A Vanossi, N Manini, E Tosatti
Physical Review B 95 (24), 245403, 2017
11 2017 Microscopic friction emulators D Mandelli, E Tosatti
Nature 526 (7573), 332-333, 2015
11 2015 How exascale computing can shape drug design: A perspective from multiscale QM/MM molecular dynamics simulations and machine learning-aided enhanced sampling algorithms G Rossetti, D Mandelli
Current Opinion in Structural Biology 86, 102814, 2024
8 2024 MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM Simulations B Raghavan, FK Schackert, A Levy, SK Johnson, E Ippoliti, D Mandelli, ...
Journal of Chemical Information and Modeling 63 (5), 1406-1412, 2023
7 2023 
Erio TosattiTheoretical Condensed Matter PhysicistEmail verificata su sissa.it