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of 343
pro vyhledávání: '"Gispen, Willem"'
Since the influential work of ten Wolde, Ruiz-Montero, and Frenkel [Phys. Rev. Lett. 75, 2714 (1995)], crystal nucleation from a Lennard-Jones fluid has been regarded as a paradigmatic example of metastable crystal ordering at the surface of a critic
Externí odkaz:
http://arxiv.org/abs/2412.03276
Publikováno v:
J. Chem. Phys. 160, 174501 (2024)
In this work, we introduce Variational Umbrella Seeding, a novel technique for computing nucleation barriers. This new method, a refinement of the original seeding approach, is far less sensitive to the choice of order parameter for measuring the siz
Externí odkaz:
http://arxiv.org/abs/2402.13892
Autor:
Gispen, Willem, Dijkstra, Marjolein
Publikováno v:
J. Chem. Phys. 160, 141102 (2024)
By employing brute-force molecular dynamics, umbrella sampling, and seeding simulations, we investigate homogeneous nucleation during melting and freezing of hard spheres. We provide insights into these opposing phase transitions from the standpoint
Externí odkaz:
http://arxiv.org/abs/2401.05855
Autor:
Gispen, Willem, Dijkstra, Marjolein
Publikováno v:
J. Chem. Phys. 159, 086101 (2023)
We determine the nucleation rates of hard spheres using brute-force molecular dynamics simulations. We overcome nucleation barriers of up to $28 k_B T$, leading to a rigorous test of nucleation rates obtained from rare-event methods and classical nuc
Externí odkaz:
http://arxiv.org/abs/2309.06216
Autor:
Gispen, Willem, Dijkstra, Marjolein
We determine the full kinetic phase diagram for nucleation and growth of crystal phases in a suspension of charged colloids. We calculate nucleation barrier heights for face-centered cubic (fcc) and body-centered cubic (bcc) crystal phases for varyin
Externí odkaz:
http://arxiv.org/abs/2203.12507
Autor:
Gispen, Willem, Lamacraft, Austen
We introduce reinforcement learning (RL) formulations of the problem of finding the ground state of a many-body quantum mechanical model defined on a lattice. We show that stoquastic Hamiltonians - those without a sign problem - have a natural decomp
Externí odkaz:
http://arxiv.org/abs/2012.07063
Finding the ground state of a quantum mechanical system can be formulated as an optimal control problem. In this formulation, the drift of the optimally controlled process is chosen to match the distribution of paths in the Feynman--Kac (FK) represen
Externí odkaz:
http://arxiv.org/abs/2006.09044
Akademický článek
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Autor:
Gispen, Willem, Dijkstra, Marjolein, Sub Soft Condensed Matter, Soft Condensed Matter and Biophysics
Publikováno v:
Physical Review Letters, 129(9). American Physical Society
We determine the kinetic phase diagram for nucleation and growth of crystal phases in a suspension of charged colloids. Exploiting the seeding approach in extensive simulations, we calculate nucleation barrier heights for face-centered cubic (fcc) an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e5efcd068c1baa32fad4dcfe73094ace
https://dspace.library.uu.nl/handle/1874/423288
https://dspace.library.uu.nl/handle/1874/423288
Autor:
Gispen, Willem, Lamacraft, Austen, Sub Soft Condensed Matter, Soft Condensed Matter and Biophysics
Publikováno v:
Mathematical and Scientific Machine Learning, 369
STARTPAGE=369;TITLE=Mathematical and Scientific Machine Learning
STARTPAGE=369;TITLE=Mathematical and Scientific Machine Learning
We introduce reinforcement learning (RL) formulations of the problem of finding the ground state of a many-body quantum mechanical model defined on a lattice. We show that stoquastic Hamilto-nians–those without a sign problem–have a natural decom
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=narcis______::f7fedffb999cf3c0b9b888391d320062
https://dspace.library.uu.nl/handle/1874/423743
https://dspace.library.uu.nl/handle/1874/423743