Davide Mandelli
Davide Mandelli
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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
Nanoserpents: Graphene nanoribbon motion on two-dimensional hexagonal materials
W Ouyang, D Mandelli, M Urbakh, O Hod
Nano letters 18 (9), 6009-6016, 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
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
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
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
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
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
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
Metadynamics of paths
D Mandelli, B Hirshberg, M Parrinello
Physical Review Letters 125 (2), 026001, 2020
Stick-slip nanofriction in trapped cold ion chains
D Mandelli, A Vanossi, E Tosatti
Physical Review B 87 (19), 195418, 2013
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
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
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
Density functional study of the TiN/Ge2Sb2Te5 interface
D Mandelli, S Caravati, M Bernasconi
physica status solidi (b) 249 (11), 2140-2144, 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
Microscopic friction emulators
D Mandelli, E Tosatti
Nature 526 (7573), 332-333, 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, 2023
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
A modified nudged elastic band algorithm with adaptive spring lengths
D Mandelli, M Parrinello
The Journal of Chemical Physics 155 (7), 2021
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