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 | 397 | 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 | 150 | 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 | 143 | 2017 |
Emergent symmetry in fully relaxed magic-angle twisted bilayer graphene M Angeli, D Mandelli, A Valli, A Amaricci, M Capone, E Tosatti, M Fabrizio Physical Review B 98 (23), 235137, 2018 | 89 | 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 | 88 | 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 | 57 | 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 | 54 | 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 | 46 | 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 | 37 | 2015 |
Metadynamics of paths D Mandelli, B Hirshberg, M Parrinello Physical review letters 125 (2), 026001, 2020 | 34 | 2020 |
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 | 34 | 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 | 32 | 2023 |
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 | 32 | 2019 |
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 |
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 |
Density functional study of the TiN/Ge2Sb2Te5 interface D Mandelli, S Caravati, M Bernasconi physica status solidi (b) 249 (11), 2140-2144, 2012 | 11 | 2012 |
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 |
A modified nudged elastic band algorithm with adaptive spring lengths D Mandelli, M Parrinello The Journal of Chemical Physics 155 (7), 2021 | 5 | 2021 |