Martijn Marsman

发表

Fast iterative interior eigensolver for millions of atoms

Georg Kresse, Gerald Jordan, Martijn Marsman, 2012, J. Comput. Phys..

On Enhancing 3D-FFT Performance in VASP

Thomas Steinke, Florian Wende, Martijn Marsman, 2016 .

Porting VASP from MPI to MPI+OpenMP [SIMD] - Optimization Strategies, Insights and Feature Proposals

Jeongnim Kim, Zhengji Zhao, Florian Wende, 2017, IWOMP.

OpenMP in VASP: Threading and SIMD

Thomas Steinke, Jeongnim Kim, Zhengji Zhao, 2019 .

Why does the B3LYP hybrid functional fail for metals?

Georg Kresse, Martijn Marsman, J. Paier, 2007, The Journal of chemical physics.

Broken symmetries in the crystalline and magnetic structures of γ-iron

Martijn Marsman, J. Hafner, M. Marsman, 2002 .

Structural, electronic and magnetic properties of Gd investigated by DFT+U methods: bulk, clean and H-covered (0001) surfaces

Martijn Marsman, M. Marsman, Melissa A. Petersen, 2006 .

Dielectric properties and excitons for extended systems from hybrid functionals

Georg Kresse, Martijn Marsman, J. Paier, 2008 .

Making the random phase approximation to electronic correlation accurate.

Georg Kresse, Andreas Grüneis, Martijn Marsman, 2009, The Journal of chemical physics.

Self-consistent meta-generalized gradient approximation within the projector-augmented-wave method

Georg Kresse, Gábor I. Csonka, John P. Perdew, 2011 .

Lattice constants and cohesive energies of alkali, alkaline-earth, and transition metals: Random phase approximation and density functional theory results

Georg Kresse, Martijn Marsman, J. Klimeš, 2013 .

Ab initiostudy of ground-state properties of the Laves-phase compoundZrMn2

Walter Wolf, Martijn Marsman, Peter Rogl, 2005 .

The multiferroic phase of DyFeO 3 : an ab initio study

Georg Kresse, Martijn Marsman, Alessandro Stroppa, 2010 .

Stable structural and magnetic isomers of small transition-metal clusters from the Ni group: an ab initio density-functional study

Martijn Marsman, M. Marsman, J. Hafner, 2006 .

Range separated hybrid density functional with long-range Hartree-Fock exchange applied to solids.

Georg Kresse, Martijn Marsman, J. Ángyán, 2007, The Journal of chemical physics.

Estimating the Performance Impact of the MCDRAM on KNL Using Dual-Socket Ivy Bridge Nodes on Cray XC 30

Zhengji Zhao, Martijn Marsman, 2016 .

Second-order Møller-Plesset perturbation theory applied to extended systems. II. Structural and energetic properties.

Georg Kresse, Andreas Grüneis, Martijn Marsman, 2010, The Journal of chemical physics.

Iron as a source of efficient Shockley-Read-Hall recombination in GaN

Georg Kresse, Saulius Marcinkevicius, Martijn Marsman, 2016 .

Optical and electronic properties of Si 3 N 4 and α -SiO 2

Georg Kresse, Martijn Marsman, Espen Flage-Larsen, 2012 .

The Perdew-Burke-Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set.

Georg Kresse, Martijn Marsman, J. Paier, 2005, The Journal of chemical physics.

Performance of Hybrid MPI/OpenMP VASP on Cray XC40 Based on Intel Knights Landing Many Integrated Core Architecture

Zhengji Zhao, Florian Wende, Martijn Marsman, 2017 .

The multiferroic phase of DyFeO3: an ab initio study

Georg Kresse, Martijn Marsman, Alessandro Stroppa, 2009, 0912.3345.

Ground-state properties of multivalent manganese oxides: Density functional and hybrid density functional calculations

Georg Kresse, Martijn Marsman, Cesare Franchini, 2007 .

Erratum: “Screened hybrid density functionals applied to solids” [J. Chem. Phys. 124, 154709 (2006)]

Georg Kresse, János G. Ángyán, Martijn Marsman, 2006 .