Zobrazeno 1 - 10
of 994
pro vyhledávání: '"SHEPHERD, JAMES A."'
Publikováno v:
Journal of Chemical Physics (Vol.160, Issue 5), 2024
We present a robust strategy to numerically sample the Coulomb potential in reciprocal space for periodic Born-von Karman cells of general shape. Our approach tackles two common issues of plane-wave based implementations of Coulomb integrals under pe
Externí odkaz:
http://arxiv.org/abs/2310.13608
Autor:
Van Benschoten, William Z., Weiler, Laura, Smith, Gabriel J., Man, Songhang, DeMello, Taylor, Shepherd, James J.
We present a machine learning approach to calculating electronic specific heat capacities for a variety of benchmark molecular systems. Our models are based on data from density matrix quantum Monte Carlo, which is a stochastic method that can calcul
Externí odkaz:
http://arxiv.org/abs/2305.07081
Finite size error is commonly removed from coupled cluster theory calculations by $N^{-1}$ extrapolations over correlation energy calculations of different system sizes ($N$), where the $N^{-1}$ scaling comes from the total energy. However, previous
Externí odkaz:
http://arxiv.org/abs/2302.05051
We introduce a straightforward Gaussian process regression (GPR) model for the transition structure factor of metal periodic coupled cluster singles and doubles (CCSD) calculations. This is inspired by the method introduced by Liao and Gr\"uneis for
Externí odkaz:
http://arxiv.org/abs/2204.00092
Autor:
Shepherd, James G.1 (AUTHOR) james.shepherd.2@glasgow.ac.uk, Ashraf, Shirin1 (AUTHOR), Salazar-Gonzalez, Jesus F.2 (AUTHOR), Salazar, Maria G.3 (AUTHOR), Downing, Robert G.4 (AUTHOR), Bukenya, Henry4 (AUTHOR), Jerome, Hanna1 (AUTHOR), Mpanga, Joseph T.4 (AUTHOR), Davis, Chris1 (AUTHOR), Tong, Lily1 (AUTHOR), Sreenu, Vattipally B.1 (AUTHOR), Atiku, Linda A.4 (AUTHOR), Logan, Nicola1 (AUTHOR), Kajik, Ezekiel4 (AUTHOR), Mukobi, Yafesi4 (AUTHOR), Mungujakisa, Cyrus4 (AUTHOR), Olowo, Michael V.4 (AUTHOR), Tibo, Emmanuel4 (AUTHOR), Wunna, Fred4 (AUTHOR), Jackson Ireland, Hollie1 (AUTHOR)
Publikováno v:
PLoS Neglected Tropical Diseases. 7/8/2024, Vol. 18 Issue 7, p1-28. 28p.
Autor:
Peterson, Paul G.1 (AUTHOR) petersonp@landcareresearch.co.nz, Shepherd, James D.1 (AUTHOR), Hill, Richard L.2 (AUTHOR) hillr@landcareresearch.co.nz, Davey, Craig I.3 (AUTHOR) craig.davey@horizons.govt.nz
Publikováno v:
Remote Sensing. Jul2024, Vol. 16 Issue 13, p2503. 18p.
Publikováno v:
In Polyhedron 1 December 2024 264
Publikováno v:
In Science of Remote Sensing June 2024 9
The density matrix quantum Monte Carlo (DMQMC) set of methods stochastically samples the exact $N$-body density matrix for interacting electrons at finite temperature. We introduce a simple modification to the interaction picture DMQMC method (IP-DMQ
Externí odkaz:
http://arxiv.org/abs/2108.06252
Autor:
Reith, Christina, Preiss, David, Blackwell, Lisa, Emberson, Jonathan, Spata, Enti, Davies, Kelly, Halls, Heather, Harper, Charlie, Holland, Lisa, Wilson, Kate, Roddick, Alistair J, Cannon, Christopher P, Clarke, Robert, Colhoun, Helen M, Durrington, Paul N, Goto, Shinya, Hitman, Graham A, Hovingh, G Kees, Jukema, J Wouter, Koenig, Wolfgang, Marschner, Ian, Mihaylova, Borislava, Newman, Connie, Probsfield, Jeffrey L, Ridker, Paul M, Sabatine, Marc S, Sattar, Naveed, Schwartz, Gregory G, Tavazzi, Luigi, Tonkin, Andrew, Trompet, Stella, White, Harvey, Yusuf, Salim, Armitage, Jane, Keech, Anthony, Simes, John, Collins, Rory, Baigent, Colin, Barnes, Elizabeth, Fulcher, Jordan, Herrington, William G, Kirby, Adrienne, O'Connell, Rachel, Amarenco, Pierre, Arashi, Hiroyuki, Barter, Philip, Betteridge, D John, Blazing, Michael, Blauw, Gerard J, Bosch, Jackie, Bowman, Louise, Braunwald, Eugene, Bulbulia, Richard, Byington, Robert, Clearfield, Michael, Cobbe, Stuart, Dahlöf, Björn, Davis, Barry, de Lemos, James, Downs, John R, Fellström, Bengt, Flather, Marcus, Ford, Ian, Franzosi, Maria Grazia, Fuller, John, Furberg, Curt, Glynn, Robert, Goldbourt, Uri, Gordon, David, Gotto, Jr, Antonio, Grimm, Richard, Gupta, Ajay, Hawkins, C Morton, Haynes, Richard, Holdaas, Hallvard, Hopewell, Jemma, Jardine, Alan, Kastelein, John JP, Kean, Sharon, Kearney, Patricia, Kitas, George, Kjekshus, John, Knatterud, Genell, Knopp, Robert H, Koren, Michael, Krane, Vera, Landray, Martin, LaRosa, John, Latini, Roberto, Lonn, Eva, Lucci, Donata, MacFadyen, Jean, Macfarlane, Peter, MacMahon, Stephen, Maggioni, Aldo, Marchioli, Roberto, Moyé, Lemuel, Murphy, Sabina, Neil, Andrew, Nicolis, Enrico B, Packard, Chris, Parish, Sarah, Pedersen, Terje R, Peto, Richard, Pfeffer, Marc, Poulter, Neil, Pressel, Sara, Probstfield, Jeffrey, Rahman, Mahboob, Robertson, Michele, Sacks, Frank, Schmieder, Roland, Serruys, Patrick, Sever, Peter, Shaw, John, Shepherd, James, Simpson, Lara, Sleight, Peter, Smeeth, Liam, Tobert, Jonathan, Tognoni, Gianni, Varigos, John, Wanner, Christoph, Wedel, Hans, Weis, Stephen, Welch, K Michael, Wikstrand, John, Wilhelmsen, Lars, Wiviott, Stephen, Yamaguchi, Junichi, Young, Robin, Zannad, Faiez
Publikováno v:
In The Lancet Diabetes & Endocrinology May 2024 12(5):306-319