M. Strange

发表

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

N. A. Romero, J. Nørskov, K. Jacobsen, 2010, Journal of physics. Condensed matter : an Institute of Physics journal.

Self-consistent GW calculations of electronic transport in thiol- and amine-linked molecular junctions

K. Thygesen, C. Rostgaard, M. Strange, 2011 .

Definition of a scoring parameter to identify low-dimensional materials components

K. Jacobsen, M. Strange, P. M. Larsen, 2018, 1808.02114.

The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals

K. Jacobsen, K. Thygesen, J. Mortensen, 2018, 2D Materials.

Complex band structure and electronic transmission eigenchannels.

K. Stokbro, M. Strange, M. Reuter, 2017, The Journal of chemical physics.

Oligomeric Gold−Thiolate Units Define the Properties of the Molecular Junction between Gold and Benzene Dithiols

O. Lopez-Acevedo, M. Strange, H. Häkkinen, 2010 .

Conductance of Conjugated Molecular Wires: Length Dependence, Anchoring Groups, and Band Alignment

K. Thygesen, M. Mavrikakis, M. Strange, 2009 .

Breakdown of interference rules in azulene, a nonalternant hydrocarbon.

Roey J. Amir, M. Strange, L. Campos, 2014, Nano letters.

Image-charge-induced localization of molecular orbitals at metal-molecule interfaces: Self-consistent GW calculations

K. Thygesen, M. Strange, 2012, 1204.5401.

Tuning Conductance in Aromatic Molecules: Constructive and Counteractive Substituent Effects

M. Strange, G. Solomon, Marc H. Garner, 2016 .

Dynamic breaking of a single gold bond

K. Jacobsen, M. Strange, I. Pobelov, 2017, Nature Communications.

Close relation between quantum interference in molecular conductance and diradical existence

R. Hoffmann, M. Strange, Yuta Tsuji, 2016, Proceedings of the National Academy of Sciences.

The atomic simulation environment-a Python library for working with atoms.

Michael Walter, Ole Schütt, Tejs Vegge, 2017, Journal of physics. Condensed matter : an Institute of Physics journal.

Density functional theory based screening of ternary alkali-transition metal borohydrides: a computational material design project.

J Rossmeisl, A Tekin, G. D. Barmparis, 2009, The Journal of chemical physics.

Benchmark density functional theory calculations for nanoscale conductance.

K. Jacobsen, K. Thygesen, M. Strange, 2007, The Journal of chemical physics.

Coupled cluster calculations of the optical rotation of S-propylene oxide in gas phase and solution

P. Jørgensen, K. Mikkelsen, M. Strange, 2005 .

On the illusory connection between cross-conjugation and quantum interference

M. Strange, K. G. L. Pedersen, G. Solomon, 2015, 1510.06015.

Towards quantitative accuracy in first-principles transport calculations: The GW method applied to alkane/gold junctions

K. Thygesen, M. Strange, 2011, Beilstein journal of nanotechnology.

Structure and transport properties of atomic chains and molecules

K. Jacobsen, K. Thygesen, M. Strange, 2008 .

Interference enhanced thermoelectricity in quinoid type structures.

M. Strange, J. S. Seldenthuis, J. Thijssen, 2015, The Journal of chemical physics.

Understanding the length dependence of molecular junction thermopower.

M. Strange, O. Karlström, G. Solomon, 2014, The Journal of chemical physics.

Anomalous conductance oscillations and half-metallicity in atomic Ag-O chains.

J. Sethna, K. Jacobsen, K. Thygesen, 2008, Physical review letters.

Conductance of sidewall-functionalized carbon nanotubes: universal dependence on adsorption sites.

K. Thygesen, Á. Rubio, J. M. García‐Lastra, 2008, Physical review letters.

A Strategy to Suppress Phonon Transport in Molecular Junctions Using π-Stacked Systems

D. Donadio, I. Duchemin, M. Strange, 2017 .

Electron transport in aPt−CO−Ptnanocontact: Density functional theory calculations

K. Jacobsen, K. Thygesen, M. Strange, 2005, cond-mat/0512138.

Energy level alignment and quantum conductance of functionalized metal-molecule junctions: density functional theory versus GW calculations.

K. Thygesen, M. Strange, T. Markussen, 2013, The Journal of chemical physics.

Reply to comment on ‘The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals’

Thomas Olsen, Mikkel Strange, Kristian S Thygesen, 2019, 2D Materials.

Nonmagnetic and magnetic thiolate-protected Au25superatoms on Cu(111), Ag(111), and Au(111) surfaces

M. Strange, Xi Chen, H. Hakkinen, 2012, 1201.4269.

Site-selective conductance of sidewall functionalized carbon nanotubes

K. Thygesen, Á. Rubio, J. M. García‐Lastra, 2008, 0804.3613.

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

N. A. Romero, J. Nørskov, K. Jacobsen, 2010, Journal of physics. Condensed matter : an Institute of Physics journal.

Numerical quality control for DFT-based materials databases

K. Jacobsen, M. Scheffler, K. Thygesen, 2020, npj Computational Materials.

Quantum interference in off-resonant transport through single molecules

M. Strange, M. Leijnse, J. Paaske, 2014, 1403.4056.