Fast nonadiabatic dynamics of many-body quantum systems

The atomic simulation environment—a Python library for working with atoms

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Light-induced structural changes and the site of O=O bond formation in PSII caught by XFEL

(2017) Michihiro Suga et al.   NATURE

A strong diffusive ion mode in dense ionized matter predicted by Langevin dynamics

(2017) P. Mabey et al.   Nature Communications

X-ray Thomson Scattering in Warm Dense Matter without the Chihara Decomposition

(2016) A. D. Baczewski et al.   PHYSICAL REVIEW LETTERS

Ultrabright X-ray laser scattering for dynamic warm dense matter physics

(2015) L. B. Fletcher et al.   Nature Photonics

Impact of first-principles properties of deuterium–tritium on inertial confinement fusion target designsa)

(2015)   PHYSICS OF PLASMAS

Density functional theory: Its origins, rise to prominence, and future

(2015) R. O. Jones   REVIEWS OF MODERN PHYSICS

Direct observation of an abrupt insulator-to-metal transition in dense liquid deuterium

(2015) M. D. Knudson et al.   SCIENCE

Uniform electron gas at warm, dense matter conditions

(2013) Sandipan Dutta et al.   EPL

Effects of Temperature Control Algorithms on Transport Properties and Kinetics in Molecular Dynamics Simulations

(2013) Joseph E. Basconi et al.   Journal of Chemical Theory and Computation

Classical representation of a quantum system at equilibrium: Applications

(2013) Sandipan Dutta et al.   PHYSICAL REVIEW E

Classical representation of a quantum system at equilibrium: Theory

(2013) James Dufty et al.   PHYSICAL REVIEW E

Orbital-Free Density-Functional Theory Simulations of the Dynamic Structure Factor of Warm Dense Aluminum

(2013) T. G. White et al.   PHYSICAL REVIEW LETTERS

Perspective on density functional theory

(2012) Kieron Burke   JOURNAL OF CHEMICAL PHYSICS

The Protein-Folding Problem, 50 Years On

(2012) K. A. Dill et al.   SCIENCE

The classical-map hyper-netted-chain (CHNC) method and associated novel density-functional techniques for warm dense matter

(2011) M. W. C. Dharma-Wardana   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Evolution and control of oxygen order in a cuprate superconductor

(2011) Nicola Poccia et al.   NATURE MATERIALS

Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

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Symmetric Inertial Confinement Fusion Implosions at Ultra-High Laser Energies

(2010) S. H. Glenzer et al.   SCIENCE

X-ray Thomson scattering in high energy density plasmas

(2009) Siegfried H. Glenzer et al.   REVIEWS OF MODERN PHYSICS

Probing warm dense lithium by inelastic X-ray scattering

(2008) E. García Saiz et al.   Nature Physics

Pair-distribution functions of two-temperature two-mass systems: Comparison of molecular dynamics, classical-map hypernetted chain, quantum Monte Carlo, and Kohn-Sham calculations for dense hydrogen

(2008) M. W. C. Dharma-wardana et al.   PHYSICAL REVIEW E