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Patrick Rinke

Identifiers

  • name variant Patrick Rinke 0.60 · backfill

Papers (55)

  1. Charting the thermodynamic stability of hybrid perovskite alloys with machine learning cond-mat.mtrl-sci · 2026 · author #3
  2. Benchmarking machine-learned interatomic potentials for molecular infrared spectroscopy physics.chem-ph · 2026 · author #3
  3. Selectivity- and Activity-Aware Catalyst Descriptors for CO$_2$ Hydrogenation on Alloy Nanocatalysts using Machine-Learned Force Fields cond-mat.mtrl-sci · 2026 · author #3
  4. Bayesian Optimization for Mixed-Variable Problems in the Natural Sciences cs.LG · 2026 · author #4
  5. Roadmap on Advancements of the FHI-aims Software Package cond-mat.mtrl-sci · 2025 · author #150
  6. Database-driven high-throughput study for hybrid perovskite coating materials physics.app-ph · 2019 · author #4
  7. Chemical diversity in molecular orbital energy predictions with kernel ridge regression physics.chem-ph · 2018 · author #7
  8. Dynamical configuration interaction: Quantum embedding that combines wave functions and Green's functions physics.chem-ph · 2018 · author #2
  9. All-Electron, Real-Space Perturbation Theory for Homogeneous Electric Fields: Theory, Implementation, and Application within DFT cond-mat.mtrl-sci · 2018 · author #3
  10. Theory of excitation transfer between two-dimensional semiconductor and molecular layers cond-mat.mes-hall · 2017 · author #4
  11. First-Principles Supercell Calculations of Small Polarons with Proper Account for Long-Range Polarization Effects cond-mat.mtrl-sci · 2017 · author #3
  12. Efficient Bayesian Inference of Atomistic Structure in Complex Functional Materials cond-mat.mtrl-sci · 2017 · author #4
  13. Multi-scale model for disordered hybrid perovskites: the concept of organic cation pair modes cond-mat.mtrl-sci · 2017 · author #3
  14. Lattice Dynamics Calculations based on Density-functional Perturbation Theory in Real Space cond-mat.mtrl-sci · 2016 · author #3
  15. Benchmark of GW approaches for the GW100 testset physics.chem-ph · 2016 · author #4
  16. Towards efficient orbital-dependent density functionals for weak and strong correlation cond-mat.mtrl-sci · 2016 · author #2
  17. Wave-function inspired density functional applied to the H$_2$/H$_2^+$ challenge cond-mat.mtrl-sci · 2016 · author #2
  18. Atomic structure of metal-halide perovskites from first principles: The chicken-and-egg paradox of the organic-inorganic interaction cond-mat.mtrl-sci · 2016 · author #2
  19. Piecewise linearity in the $GW$ approximation for accurate quasiparticle energy predictions cond-mat.mtrl-sci · 2015 · author #4
  20. Self-Consistent Green Function Embedding for Advanced Electronic Structure Methods Based on a Dynamical Mean-Field Concept cond-mat.mtrl-sci · 2015 · author #4
  21. Why graphene growth is very different on the C face than on the Si face of SiC: Insights from surface equilibria and the (3$\times$3)-3C-SiC($\bar{\text{1}}\bar{\text{1}}\bar{\text{1}}$) reconstruction cond-mat.mtrl-sci · 2015 · author #3
  22. Length Dependence of Ionization Potentials of Trans-Acetylenes: Internally-Consistent DFT/GW Approach cond-mat.mtrl-sci · 2015 · author #3
  23. First-principles calculations of indirect Auger recombination in nitride semiconductors cond-mat.mtrl-sci · 2014 · author #3
  24. Static correlation and electron localization in molecular dimers from the self-consistent RPA and GW approximation cond-mat.str-el · 2014 · author #7
  25. A multi-scale approach to the electronic structure of doped semiconductor surfaces cond-mat.mtrl-sci · 2014 · author #3
  26. First-Principles Description of Charge Transfer in Donor-Acceptor Compounds from Self-Consistent Many-Body Perturbation Theory cond-mat.mtrl-sci · 2014 · author #6
  27. Interface dipoles of organic molecules on Ag(111) in hybrid density-functional theory cond-mat.mtrl-sci · 2013 · author #4
  28. Space Charge Transfer in Hybrid Inorganic/Organic Systems cond-mat.mtrl-sci · 2013 · author #11
  29. Thermodynamic equilibrium conditions of graphene films on SiC cond-mat.mtrl-sci · 2013 · author #3
  30. Self-consistent GW: All-electron implementation with localized basis functions cond-mat.mtrl-sci · 2013 · author #2
  31. Renormalized Second-order Perturbation Theory for The Electron Correlation Energy: Concept, Implementation, and Benchmarks cond-mat.other · 2012 · author #2
  32. A Benchmark of GW Methods for Azabenzenes: Is the GW Approximation Good Enough? cond-mat.mtrl-sci · 2012 · author #9
  33. Bond Breaking and Bond Formation: How Electron Correlation is Captured in Many-Body Perturbation Theory and Density-Functional Theory physics.chem-ph · 2012 · author #5
  34. Density-functional Theory for f electron Systems: the {\alpha}-{\gamma} Phase Transition in Cerium cond-mat.str-el · 2012 · author #3
  35. Random-phase approximation and its applications in computational chemistry and materials science cond-mat.mtrl-sci · 2012 · author #2
  36. Unified description of ground and excited states of finite systems: the self-consistent GW approach cond-mat.mtrl-sci · 2012 · author #2
  37. Resolution-of-identity approach to Hartree-Fock, hybrid density functionals, RPA, MP2, and \textit{GW} with numeric atom-centered orbital basis functions physics.atm-clus · 2012 · author #2
  38. Assessment of correlation energies based on the random-phase approximation cond-mat.mtrl-sci · 2011 · author #3
  39. Beyond the Random Phase Approximation for the Electron Correlation Energy: The Importance of Single Excitations cond-mat.other · 2010 · author #2
  40. Large-scale surface reconstruction energetics of Pt(100) and Au(100) by all-electron DFT cond-mat.mtrl-sci · 2010 · author #4
  41. Controlling polarization at insulating surfaces: quasiparticle calculations for molecules adsorbed on insulator films cond-mat.mtrl-sci · 2009 · author #2
  42. Auger recombination rates in nitrides from first principles cond-mat.mtrl-sci · 2009 · author #2
  43. The f-electron challenge: localized and itinerant states in lanthanide oxides united by GW@LDA+U cond-mat.mtrl-sci · 2009 · author #3
  44. Defect Formation Energies without the Band-Gap Problem: Combining DFT and GW for the Silicon Self-Interstitial cond-mat.mtrl-sci · 2008 · author #1
  45. Screening in 2D: GW calculations for surfaces and thin films using the repeated-slab approach cond-mat.mtrl-sci · 2008 · author #3
  46. Consistent set of band parameters for the group-III nitrides AlN, GaN, and InN cond-mat.mtrl-sci · 2008 · author #1
  47. Ultrathin oxides: bulk-oxide-like model surfaces or unique films? cond-mat.mtrl-sci · 2007 · author #2
  48. Vertex corrections in localized and extended systems cond-mat.mtrl-sci · 2007 · author #4
  49. Self-interaction in Green's-function theory of the hydrogen atom cond-mat.mtrl-sci · 2007 · author #3
  50. Exact-exchange based quasiparticle energy calculations for the band gap, effective masses and deformation potentials of ScN cond-mat.mtrl-sci · 2006 · author #2
  51. Band gap and band parameters of InN and GaN from quasiparticle energy calculations based on exact-exchange density-functional theory cond-mat.mtrl-sci · 2006 · author #1
  52. Dielectric anisotropy in the GW space-time method cond-mat.mtrl-sci · 2006 · author #3
  53. Combining GW calculations with exact-exchange density-functional theory: An analysis of valence-band photoemission for compound semiconductors cond-mat.mtrl-sci · 2005 · author #1
  54. Image states in metal clusters cond-mat.mtrl-sci · 2004 · author #1
  55. Image resonance in the many-body density of states at a metal surface cond-mat.mtrl-sci · 2003 · author #3

Mentions

  • 1506.03680 #4 · backfill · confidence 0.70 Patrick Rinke
  • 1503.08588 #3 · backfill · confidence 0.70 Patrick Rinke
  • 1503.03704 #3 · backfill · confidence 0.70 Patrick Rinke
  • 1412.7555 #3 · backfill · confidence 0.70 Patrick Rinke
  • 1412.7507 #7 · backfill · confidence 0.70 Patrick Rinke
  • 1411.2781 #3 · backfill · confidence 0.70 Patrick Rinke
  • 1409.6196 #6 · backfill · confidence 0.70 Patrick Rinke
  • 2605.30012 #3 · arxiv_oai · confidence 0.70 Patrick Rinke
  • 1310.2097 #4 · backfill · confidence 0.70 Patrick Rinke
  • 1306.4580 #11 · backfill · confidence 0.70 Patrick Rinke
  • 1304.7640 #3 · backfill · confidence 0.70 Patrick Rinke
  • 1304.4039 #2 · backfill · confidence 0.70 Patrick Rinke
  • 1212.3674 #2 · backfill · confidence 0.70 Patrick Rinke
  • 1211.0416 #9 · backfill · confidence 0.70 Patrick Rinke
  • 1210.8300 #5 · backfill · confidence 0.70 Patrick Rinke
  • 1209.5970 #3 · backfill · confidence 0.70 Patrick Rinke
  • 1203.5536 #2 · backfill · confidence 0.70 Patrick Rinke
  • 1202.3547 #2 · backfill · confidence 0.70 Patrick Rinke
  • 1201.0655 #2 · backfill · confidence 0.70 Patrick Rinke
  • 2605.22367 #3 · arxiv_oai · confidence 0.70 Patrick Rinke
  • 1111.0173 #3 · backfill · confidence 0.70 Patrick Rinke
  • 1011.2724 #2 · backfill · confidence 0.70 Patrick Rinke
  • 1004.3948 #4 · backfill · confidence 0.70 Patrick Rinke
  • 0906.4565 #2 · backfill · confidence 0.70 Patrick Rinke
  • 0904.3559 #2 · backfill · confidence 0.70 Patrick Rinke
  • 0902.3697 #3 · backfill · confidence 0.70 Patrick Rinke
  • 0812.2492 #1 · backfill · confidence 0.70 Patrick Rinke
  • 0801.1714 #3 · backfill · confidence 0.70 Patrick Rinke
  • 0801.0421 #1 · backfill · confidence 0.70 Patrick Rinke
  • 0707.2031 #2 · backfill · confidence 0.70 Patrick Rinke

Frequent Coauthors