Quantum Espresso is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials. Quantum-esprsso(第一性原理密度泛函理论为基础)前期被称为:PWscf程序包;后改名为:QUANTUM ESPRESSO程序包http://www.quantum-espresso.org/。其主要包括两大模块PWscf和CPMD。优点:可以计算材料费米面(金属)、电声耦合作用、超导性质(包括各向同性、异性超导特征)、功能模块化(易于添加新模块)、开源免费、易于上手(有专门的后处理程序包PP)等特征。缺点:同种原子贋势种类多、多组份化合物中的各元素贋势较难凑齐、vc-relax特慢等。从5.0-version 开始,QE官方开始进行模块化发布形式,其源码包仅包含最基本的PW(电子自洽计算模块)、CP(分子动力学模块)、PP(后续数据处理模块)三大最常用的功能模块。其余模块有,比如说做贋势的Atomic,算声子的PHonon,计算过渡态的NEB,计算输运性质的PWcond.x模块等等(WANNIER90,WanT,Xspectra, GIPAW)。其贋势主要分为两大类:模守恒贋势NC(60-120Ry)和超软贋势USPP(30-100Ry)。其贋势的格式为*.UPF,其中后缀UPF全称为Unified Pseudopotential File.
2022-03-28 12:11:59 80.27MB ab initio 第一性原理 pw
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QuantumWalk.jl:QuantumWalk.jl:用于基于量子游走构建算法的程序包
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量子自动编码器:经典量子(变分)自动编码器的实现
2022-03-22 18:40:30 942KB quantum-computing autoencoders JupyterNotebook
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Quantum Computation and Quantum Information(ebook) 10th Anniversary Edition Michael A. Nielsen & Isaac L. Chuang
2022-03-22 12:25:00 6.06MB Quantum Computation and Quantum
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叙述了自发参量下转换制备双光子纠缠态技术的发展历程、技术原理以及在量子信息学中的应用,并介绍了国内这一领域的进展.
2022-03-12 22:42:47 1.95MB 量子纠缠 自发参量 量子信息 quantum
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The aim of this book is to develop from the ground up" all of the major exciting preand post millenium developments in the general area of study known as quantum Shannon theory As such we spend a signicant amount of time on quantum mechanics for quantum information theory Part II we give a careful study of the important unit protocols of teleportation super dense coding and entanglement distribution Part III and we develop many of the tools necessary for understanding information transmission or compression Part IV Parts V and VI are the culmination of this book where all of the tools developed come into play for understanding many of the important results in quantum Shannon theory">The aim of this book is to develop from the ground up" all of the major exciting preand post millenium developments in the general area of study known as quantum Shannon theory As such we spend a signicant amount of time on quantum mechanics for quantum information theory Part II we giv [更多]
2022-03-06 11:49:17 6.66MB quantum information theory
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Information Theory and Quantum Physics
2022-03-06 10:44:32 2.66MB Information Physics Quantum Theory
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很详细的而且材料很新的量子信息教材, 叙述观点数学与物理相结合. 涉及了大量通常的量子信息/量子计算教材上不曾提及的内容.
2022-03-06 10:35:25 15.23MB 量子信息
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量子信息基本理论,内容包括量子计算和量子信息处理等。
2022-03-06 10:26:40 2.02MB Quantum Information
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从信息角度阐释量子理论。可以作为量子理论的一个入门教材,适用于没有深厚物理背景,又想进入量子相关领域的人观看
2022-03-06 10:16:24 2.35MB 量子 信息
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