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We present a new model of homogeneous aggregation that contains the essential physical ideas of the classical predecessors, the Becker-Doring and Lifshitz-Slyovoz models. These classical models, which give different predictions, are…

Materials Science · Physics 2007-05-23 Yossi Farjoun , John C. Neu

Most spherical viruses exhibit icosahedral symmetry, yet the growth of viral shells remains poorly understood due to the short lifetimes and broad size distribution of assembly intermediates. Classical nucleation theory has been widely…

Soft Condensed Matter · Physics 2026-03-10 Alexander Bryan Clark , Paul van der Schoot , Henri Orland , Roya Zandi

With more and more data being collected, data-driven modeling methods have been gaining in popularity in recent years. While physically sound, classical gray-box models are often cumbersome to identify and scale, and their accuracy might be…

Machine Learning · Computer Science 2023-04-05 Loris Di Natale , Bratislav Svetozarevic , Philipp Heer , Colin Neil Jones

Classical density-functional theory provides an efficient alternative to molecular dynamics simulations for understanding the equilibrium properties of inhomogeneous fluids. However, application of density-functional theory to multi-site…

Computational Physics · Physics 2014-02-14 Ravishankar Sundararaman , T. A. Arias

A two-variable stochastic model for diffusion-limited nucleation is developed using a formalism derived from fluctuating hydrodynamics. The model is a direct generalization of the standard Classical Nucleation Theory. The nucleation rate…

Chemical Physics · Physics 2015-05-26 James F. Lutsko , Miguel A. Durán-Olivencia

Quantum theory makes the most accurate empirical predictions and yet it lacks simple, comprehensible physical principles from which the theory can be uniquely derived. A broad class of probabilistic theories exist which all share some…

Quantum Physics · Physics 2012-04-17 Borivoje Dakic , Caslav Brukner

A common way of stating the non-cloning theorem -- one of distinguishing characteristics of quantum theory -- is that one cannot make a copy of an arbitrary unknown quantum state. Even though this theorem is an important part of the ongoing…

Quantum Physics · Physics 2019-05-17 Arkady Bolotin

We calculate bubble nucleation rates in a Lennard-Jones fluid through explicit molecular dynamics simulations. Our approach -- based on a recent free energy method (dubbed reweighted Jarzynski sampling), transition state theory, and a…

Soft Condensed Matter · Physics 2022-11-16 Kristof M. Bal , Erik C. Neyts

A unified formulation of the density functional theory is constructed on the foundations of entropic inference in both the classical and the quantum regimes. The theory is introduced as an application of entropic inference for inhomogeneous…

Statistical Mechanics · Physics 2021-12-20 Ahmad Yousefi

The nucleation of crystals in liquids is one of nature's most ubiquitous phenomena, playing an important role in areas such as climate change and the production of drugs. As the early stages of nucleation involve exceedingly small time and…

In this work we show that the standard method to obtain nucleation rate-predictions with the aid of atomistic Monte-Carlo simulations leads to nucleation rate predictions that deviate $3-5$ orders of magnitude from the recent brute-force…

Nuclear Theory · Physics 2015-09-30 Marco Schweizer , Leonard Sagis

Density-functional theory (DFT) has revolutionized computer simulations in chemistry and material science. A faithful implementation of the theory requires self-consistent calculations. However, this effort involves repeatedly diagonalizing…

Quantum Physics · Physics 2023-07-17 Taehee Ko , Xiantao Li , Chunhao Wang

Nuclear fission represents the ultimate test for microscopic theories of nuclear structure and reactions. Fission is a large-amplitude, time-dependent phenomenon taking place in a self-bound, strongly-interacting many-body system. It…

Nuclear Theory · Physics 2025-10-29 Nicolas Schunck

Usually, supercooled liquids and glasses are thermodynamically unstable against crystallization. Classical nucleation theory (CNT) has been used to describe the crystallization dynamics of supercooled liquids. However, recent studies on…

Soft Condensed Matter · Physics 2023-03-15 Yuki Takaha , Hideyuki Mizuno , Atsushi Ikeda

In pursuit of a colloidal analogue to quantum density functional theory (DFT) predictions of atomic crystal structures, we report a new, classical DFT that predicts the relative thermodynamic stability of colloidal crystals of hard, convex…

Soft Condensed Matter · Physics 2026-01-15 Kristi Pepa , Isaac R. Spivack , Trevor F. G. Teague , Ryn Y. Oliphant , Domagoj Fijan , Sharon C. Glotzer

The simulation of the spectra measured in nuclear magnetic resonance (NMR) spectroscopy experiments is a computationally non-trivial problem which, due to its natural interpretation as a quantum spin problem, maps in a straightforward way…

Simulations are widely used to study nucleation in first order phase transitions due to the fact that they have access to the relevant length and time scales. However, simulations face the problem that nucleation is an activated process.…

Soft Condensed Matter · Physics 2020-03-06 Pablo Rosales-Pelaez , Ignacio Sanchez-Burgos , Chantal Valeriani , Carlos Vega , Eduardo Sanz

We review the Cosmology and Physics underlying Primordial Nucleosynthesis and survey current observational data in order to compare the predictions of Big Bang Nucleosynthesis with the inferred primordial abundances. From this comparison we…

Astrophysics · Physics 2008-11-26 Keith A. Olive , Gary Steigman , Terry P. Walker

According to the Church-Turing Thesis (CTT), effective formal behaviours can be simulated by Turing machines; this has naturally led to speculation that physical systems can also be simulated computationally. But is this wider claim true,…

Quantum Physics · Physics 2008-11-10 Mike Stannett

Nucleon-Nucleon potentials are commonplace in nuclear physics and are determined from a finite number of experimental data with limited precision sampling the scattering process. We study the statistical assumptions implicit in the standard…

Nuclear Theory · Physics 2014-07-02 R. Navarro Perez , J. E. Amaro , E. Ruiz Arriola