Related papers: Calculating phase diagrams with ATAT
In this brief paper, we go through the theoretical steps of the spectral clustering on quantum computers by employing the phase estimation and the amplitude amplification algorithms. We discuss circuit designs for each step and show how to…
The phase diagram, ($T,\rho$), of a finite, constrained, and classical system is built from the analysis of cluster distributions in phase and configurational space. The obtained phase diagram can be split in three regions. One, low density…
This article describes the latest versions of the Mathematica packages FeynArts, FormCalc, and LoopTools for the generation and evaluation of one-loop diagrams.
We present a new tool for editing Feynman diagrams as well as several extensions in version 5.3 of the package FormCalc for the calculation of Feynman diagrams.
This paper is simply a collection of process diagrams for further use and reference. These are diagrams about different approaches to research.
I briefly summarize the talks on calculation of multiloop Feynman diagrams presented at ACAT'2002 (Moscow University).
Devising a computational tool that assesses the thermodynamic stability of materials is among the most important steps required to build a ``virtual laboratory'', where materials could be designed from first-principles without relying on…
Complete Feynman diagram automatic computation systems are now coming of age after many years of development. They are made available to the high energy physics community through user-friendly interfaces. Theorists and experimentalists can…
Accurate phase diagram prediction is crucial for understanding alloy thermodynamics and advancing materials design. While traditional CALPHAD methods are robust, they are resource-intensive and limited by experimentally assessed data. This…
We survey the portfolio of computational strategies available for tackling the generic problems of phase behavior - free-energy-estimation and coexistence-curve mapping.
We show that one can employ well-established numerical continuation methods to efficiently calculate the phase diagram for thermodynamic systems. In particular, this involves the determination of lines of phase coexistence related to first…
One of the central tasks in many-body physics is the determination of phase diagrams. However, mapping out a phase diagram generally requires a great deal of human intuition and understanding. To automate this process, one can frame it as a…
In frameworks of the phenomenological approach we analyze of the phase diagram of mixed compounds. We obtain space groups of symmetry of the real structures as result of phase transition from close-packed degenerate structure. The theory of…
The evaluation of phase stabilities of unstable elemental phases is a long-standing problem in the computational assessment of phase diagrams. Here we tackle this problem by explicitly calculating phase diagrams of intermetallic systems…
Crystalline alloys and related mixed systems make up a large family of materials with high tunability which have been proposed as the solution to a large number of energy related materials design problems. Due to the presence of chemical…
From the Ising model and the Lennard-Jones fluid, to water and the iron-carbon system, phase diagrams are an indispensable tool to understand phase equilibria. In spite of the effort of the simulation community the calculation of a large…
This is a status report on a companion subject to extremal combinatorics, obtained by replacing extremality properties with emergent structure, `phases'. We discuss phases, and phase transitions, in large graphs and large permutations,…
Phase diagrams are an invaluable tool for material synthesis and provide information on the phases of the material at any given thermodynamic condition. Conventional phase diagram generation involves experimentation to provide an initial…
We present a formulation of quantum circuit diagrams based on the exponential map which provides a new way to calculate graphically with circuits. We present a sound list of rewrite rules for this formulation and demonstrate a variety of…
We study a model of network with clustering and desired node degree. The original purpose of the model was to describe optimal structures of scientific collaboration in the European Union. The model belongs to the family of exponential…