Ab initio random structure searching von Pickard, Chris J, Needs, R J

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Aluminium at terapascal pressures von Pickard, Chris J, Needs, R. J

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Highly compressed ammonia forms an ionic crystal von Pickard, Chris J, Needs, R. J

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Correlated electron pseudopotentials for 3d-transition metals von Trail, J R, Needs, R J

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Dissociation of high-pressure solid molecular hydrogen: a quantum Monte Carlo and anharmonic vibrational study von Azadi, Sam, Monserrat, Bartomeu, Foulkes, W M C, Needs, R J

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Quantum Monte Carlo study of the phase diagram of solid molecular hydrogen at extreme pressures von Drummond, N. D., Monserrat, Bartomeu, Lloyd-Williams, Jonathan H., Ríos, P. López, Pickard, Chris J., Needs, R. J.

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Continuum variational and diffusion quantum Monte Carlo calculations von Needs, R J, Towler, M D, Drummond, N D, López Ríos, P

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Phase diagram of the low-density two-dimensional homogeneous electron gas von Drummond, N D, Needs, R J

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Electron-phonon coupling and the metallization of solid helium at terapascal pressures von Monserrat, Bartomeu, Drummond, N D, Pickard, Chris J, Needs, R J

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Smooth relativistic Hartree-Fock pseudopotentials for H to Ba and Lu to Hg von Trail, J R, Needs, R J

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Experimental and theoretical evidence for an ionic crystal of ammonia at high pressure von Ninet, S., Datchi, F., Dumas, P., Mezouar, M., Garbarino, G., Mafety, A., Pickard, C. J., Needs, R. J., Saitta, A. M.

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Electron emission from diamondoids : A diffusion quantum Monte Carlo study von DRUMMOND, N. D, WILLIAMSON, A. J, NEEDS, R. J, GALLI, G

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Structures at high pressure from random searching von Pickard, C. J., Needs, R. J.

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Predicted formation of superconducting platinum-hydride crystals under pressure in the presence of molecular hydrogen von Kim, Duck Young, Scheicher, Ralph H, Pickard, Chris J, Needs, R J, Ahuja, R

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High-pressure phases of group-IV, III–V, and II–VI compounds von Mujica, A., Rubio, Angel, Muñoz, A., Needs, R. J.

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Stable phases of iron at terapascal pressures von Pickard, Chris J, Needs, R J

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Quantum Monte Carlo study of the first-row atoms and ions von Seth, P., Ríos, P. López, Needs, R. J.

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Benchmark all-electron ab initio quantum Monte Carlo calculations for small molecules von Nemec, Norbert, Towler, Michael D, Needs, R J

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Comparison of Smooth Hartree–Fock Pseudopotentials von Trail, J. R, Needs, R. J

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Norm-conserving Hartree-Fock pseudopotentials and their asymptotic behavior von Trail, J R, Needs, R J

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