Pablo Piaggi
Pablo Piaggi
Postdoctoral research associate, Princeton University
Email verificata su princeton.edu - Home page
Titolo
Citata da
Citata da
Anno
Promoting transparency and reproducibility in enhanced molecular simulations
M Bonomi, G Bussi, C Camilloni, GA Tribello, P Banš, A Barducci, ...
Nature methods 16 (8), 670-673, 2019
1212019
Enhancing entropy and enthalpy fluctuations to drive crystallization in atomistic simulations
PM Piaggi, O Valsson, M Parrinello
Physical review letters 119 (1), 015701, 2017
472017
Hydrogen diffusion and trapping in nanocrystalline tungsten
PM Piaggi, EM Bringa, RC Pasianot, N Gordillo, M Panizo-Laiz, J Del Ro, ...
Journal of Nuclear Materials 458, 233-239, 2015
442015
Molecular dynamics simulations of liquid silica crystallization
H Niu, PM Piaggi, M Invernizzi, M Parrinello
Proceedings of the National Academy of Sciences 115 (21), 5348-5352, 2018
432018
Entropy based fingerprint for local crystalline order
PM Piaggi, M Parrinello
The Journal of chemical physics 147 (11), 114112, 2017
312017
H trapping and mobility in nanostructured tungsten grain boundaries: a combined experimental and theoretical approach
C Gonzlez, M Panizo-Laiz, N Gordillo, CL Guerrero, E Tejado, F Munnik, ...
Nuclear Fusion 55 (11), 113009, 2015
282015
Predicting polymorphism in molecular crystals using orientational entropy
PM Piaggi, M Parrinello
Proceedings of the National Academy of Sciences 115 (41), 10251-10256, 2018
272018
Ab initio phase diagram and nucleation of gallium
H Niu, L Bonati, PM Piaggi, M Parrinello
Nature communications 11 (1), 1-9, 2020
262020
A variational approach to nucleation simulation
PM Piaggi, O Valsson, M Parrinello
Faraday discussions 195, 557-568, 2017
162017
A cannibalistic approach to grand canonical crystal growth
T Karmakar, PM Piaggi, C Perego, M Parrinello
Journal of chemical theory and computation 14 (5), 2678-2683, 2018
152018
Atomistic mechanism of the nucleation of methylammonium lead iodide perovskite from solution
P Ahlawat, MI Dar, P Piaggi, M Grätzel, M Parrinello, U Rothlisberger
Chemistry of Materials 32 (1), 529-536, 2019
142019
Calculation of phase diagrams in the multithermal-multibaric ensemble
PM Piaggi, M Parrinello
The Journal of chemical physics 150 (24), 244119, 2019
12*2019
Multithermal-multibaric molecular simulations from a variational principle
PM Piaggi, M Parrinello
Physical review letters 122 (5), 050601, 2019
102019
Unified approach to enhanced sampling
M Invernizzi, PM Piaggi, M Parrinello
Physical Review X 10 (4), 041034, 2020
82020
Phase equilibrium of liquid water and hexagonal ice from enhanced sampling molecular dynamics simulations
PM Piaggi, R Car
The Journal of chemical physics 152 (20), 204116, 2020
82020
Naphthalene crystal shape prediction from molecular dynamics simulations
Z Bjelobrk, PM Piaggi, T Weber, T Karmakar, M Mazzotti, M Parrinello
CrystEngComm 21 (21), 3280-3288, 2019
82019
Searching for entropically stabilized phases: The case of silver iodide
D Mendels, J McCarty, PM Piaggi, M Parrinello
The Journal of Physical Chemistry C 122 (3), 1786-1790, 2018
82018
Signatures of a liquid–liquid transition in an ab initio deep neural network model for water
TE Gartner, L Zhang, PM Piaggi, R Car, AZ Panagiotopoulos, ...
Proceedings of the National Academy of Sciences 117 (42), 26040-26046, 2020
52020
Molecular dynamics simulations of crystal nucleation from solution at constant chemical potential
T Karmakar, PM Piaggi, M Parrinello
Journal of chemical theory and computation 15 (12), 6923-6930, 2019
52019
Crystal structure evaluation: calculating relative stabilities and other criteria: general discussion
M Addicoat, CS Adjiman, M Arhangelskis, GJO Beran, D Bowskill, ...
Faraday discussions 211, 325-381, 2018
52018
Il sistema al momento non pu eseguire l'operazione. Riprova pi tardi.
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