Seuraa
Pablo Piaggi
Pablo Piaggi
Muut nimetPablo M Piaggi, Pablo Miguel Piaggi
Ikerbasque and CIC nanoGUNE
Vahvistettu sähköpostiosoite verkkotunnuksessa nanogune.eu - Kotisivu
Nimike
Viittaukset
Viittaukset
Vuosi
Promoting transparency and reproducibility in enhanced molecular simulations
Nature methods 16 (8), 670-673, 2019
8162019
Ab initio phase diagram and nucleation of gallium
H Niu, L Bonati, PM Piaggi, M Parrinello
Nature communications 11 (1), 2654, 2020
1802020
Signatures of a liquid–liquid transition in an ab initio deep neural network model for water
TE Gartner III, L Zhang, PM Piaggi, R Car, AZ Panagiotopoulos, ...
Proceedings of the National Academy of Sciences 117 (42), 26040-26046, 2020
1762020
Entropy based fingerprint for local crystalline order
PM Piaggi, M Parrinello
The Journal of chemical physics 147 (11), 2017
1492017
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
1202018
Unified approach to enhanced sampling
M Invernizzi, PM Piaggi, M Parrinello
Physical Review X 10 (4), 041034, 2020
1132020
Enhancing entropy and enthalpy fluctuations to drive crystallization in atomistic simulations
PM Piaggi, O Valsson, M Parrinello
Physical review letters 119 (1), 015701, 2017
1062017
Predicting polymorphism in molecular crystals using orientational entropy
PM Piaggi, M Parrinello
Proceedings of the National Academy of Sciences 115 (41), 10251-10256, 2018
812018
Phase equilibrium of water with hexagonal and cubic ice using the SCAN functional
PM Piaggi, AZ Panagiotopoulos, PG Debenedetti, R Car
Journal of Chemical Theory and Computation 17 (5), 3065-3077, 2021
772021
Homogeneous ice nucleation in an ab initio machine-learning model of water
PM Piaggi, J Weis, AZ Panagiotopoulos, PG Debenedetti, R Car
Proceedings of the National Academy of Sciences 119 (33), e2207294119, 2022
752022
Atomistic mechanism of the nucleation of methylammonium lead iodide perovskite from solution
P Ahlawat, MI Dar, P Piaggi, M Gratzel, M Parrinello, U Rothlisberger
Chemistry of Materials 32 (1), 529-536, 2019
672019
Liquid-liquid transition in water from first principles
TE Gartner III, PM Piaggi, R Car, AZ Panagiotopoulos, PG Debenedetti
Physical review letters 129 (25), 255702, 2022
632022
Hydrogen diffusion and trapping in nanocrystalline tungsten
PM Piaggi, EM Bringa, RC Pasianot, N Gordillo, M Panizo-Laiz, J Del Río, ...
Journal of Nuclear Materials 458, 233-239, 2015
622015
Calculation of phase diagrams in the multithermal-multibaric ensemble
PM Piaggi, M Parrinello
The Journal of Chemical Physics 150 (24), 2019
512019
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
462019
H trapping and mobility in nanostructured tungsten grain boundaries: a combined experimental and theoretical approach
C González, M Panizo-Laiz, N Gordillo, CL Guerrero, E Tejado, F Munnik, ...
Nuclear Fusion 55 (11), 113009, 2015
452015
Multithermal-multibaric molecular simulations from a variational principle
PM Piaggi, M Parrinello
Physical review letters 122 (5), 050601, 2019
362019
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
272019
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
272018
Phase diagram of the TIP4P/Ice water model by enhanced sampling simulations
SL Bore, PM Piaggi, R Car, F Paesani
The Journal of Chemical Physics 157 (5), 054504, 2022
242022
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Artikkelit 1–20