Personal information

Websites & social links

Work group

Other IDs

ResearcherID: B-3448-2012

Activities

Collapse all

Employment (5)

Clausthal University of Technology: Clausthal-Zellerfeld, Niedersachsen, DE

2000-10-01 to present | University Professor (Institute for theoretical Physics)
Employment
Source: Self-asserted source
Peter Blöchl

IBM Zurich Research Laboratory: Zurich, Zürich, CH

1990-10-01 to 2000-09-30 | Research Staff member
Employment
Source: Self-asserted source
Peter Blöchl

IBM Thomas J Watson Research Center: Yorktown Heights, NY, US

1989-03 to 1990-09 | Research Associate (temp)
Employment
Source: Self-asserted source
Peter Blöchl

Max Planck Institute for Solid State Research: Stuttgart, DE

1988-01 to 1990-08 | Research Staff Member (temp)
Employment
Source: Self-asserted source
Peter Blöchl

Max-Planck Institut for Metals Research: Stuttgart, Baden Wuertemberg, DE

1984-12-01 to 1987-12-31 | Research Staff Member (temp)
Employment
Source: Self-asserted source
Peter Blöchl

Education and qualifications (3)

Vienna University of Technology: Vienna, Vienna, AT

1997-04 to 1997-04 | Habilitation (Faculty for Physics)
Education
Source: Self-asserted source
Peter Blöchl

Universität Stuttgart: Stuttgart, Baden-Württemberg, DE

1989-03 to 1989-03 | Dr. rer. nat (Faculty or Physics)
Education
Source: Self-asserted source
Peter Blöchl

Karlsruhe Institute of Technology: Karlsruhe, DE

1978-10 to 1984-09 | Diploma in Physics
Education
Source: Self-asserted source
Peter Blöchl

Works (50 of 109)

Items per page:
Page 1 of 3

Scaling Behavior in the Spectral and Power Density Dependent Photovoltaic Response of Hot Polaronic Heterojunctions

Advanced Energy Materials
2024-12 | Journal article
DOI: 10.1002/aenm.202401189
Contributors: Birte Kressdorf; Jörg Hoffmann; Annika Dehning; Peter E. Blöchl; Michael Seibt; Christian Jooss
Source: check_circle
Crossref

Characteristic terahertz emissions induced by optically excited collective orbital modes

Physical Review B
2024-09-24 | Journal article
DOI: 10.1103/PhysRevB.110.104309
Contributors: Sangeeta Rajpurohit; Christian Jooss; Simone Techert; Tadashi Ogitsu; P. E. Blöchl; L. Z. Tan
Source: check_circle
Crossref

Real-time non-adiabatic dynamics in the one-dimensional Holstein model: Trajectory-based vs exact methods

The Journal of Chemical Physics
2022-06-21 | Journal article
DOI: 10.1063/5.0092063
Contributors: M. ten Brink; S. Gräber; M. Hopjan; D. Jansen; J. Stolpp; F. Heidrich-Meisner; P. E. Blöchl
Source: check_circle
Crossref

Hydrogen-related defects in titanium dioxide at the interface to palladium

Physical Review Materials
2021-12-10 | Journal article
DOI: 10.1103/PhysRevMaterials.5.125801
Contributors: Mohsen Sotoudeh; Marian David Bongers-Loth; Vladimir Roddatis; Jakub Čížek; Carsten Nowak; Martin Wenderoth; Peter Blöchl; Astrid Pundt
Source: check_circle
Crossref

Ultrafast spin-nematic and ferroelectric phase transitions induced by femtosecond light pulses

Physical Review B
2020-11-18 | Journal article
DOI: 10.1103/PhysRevB.102.174430
Contributors: Sangeeta Rajpurohit; Liang Z. Tan; Christian Jooss; P. E. Blöchl
Source: check_circle
Crossref

A Review of Density Functional Models for the Description of Fe(II) Spin-Crossover Complexes

Molecules
2020-11-06 | Journal article
DOI: 10.3390/molecules25215176
Contributors: Anton Römer; Lukas Hasecke; Peter Blöchl; Ricardo A. Mata
Source: check_circle
Crossref
grade
Preferred source (of 2)‎

Closing the gap between theory and experiment for lithium manganese oxide spinels using a high-dimensional neural network potential

Physical Review B
2020-11-02 | Journal article
DOI: 10.1103/PhysRevB.102.174102
Contributors: Marco Eckhoff; Florian Schönewald; Marcel Risch; Cynthia A. Volkert; Peter E. Blöchl; Jörg Behler
Source: check_circle
Crossref

Predicting oxidation and spin states by high-dimensional neural networks: Applications to lithium manganese oxide spinels

The Journal of Chemical Physics
2020-10-28 | Journal article
DOI: 10.1063/5.0021452
Contributors: Marco Eckhoff; Knut Nikolas Lausch; Peter E. Blöchl; Jörg Behler
Source: check_circle
Crossref

Dynamic observation of manganese adatom mobility at perovskite oxide catalyst interfaces with water

Communications Materials
2020-09-24 | Journal article
DOI: 10.1038/s43246-020-00070-6
Contributors: Gaurav Lole; Vladimir Roddatis; Ulrich Ross; Marcel Risch; Tobias Meyer; Lukas Rump; Janis Geppert; Garlef Wartner; Peter Blöchl; Christian Jooss
Source: check_circle
Crossref

Evolution of the magnetic and polaronic order of Pr1/2Ca1/2MnO3 following an ultrashort light pulse

Physical Review B
2020-07-02 | Journal article
DOI: 10.1103/PhysRevB.102.014302
Contributors: Sangeeta Rajpurohit; Christian Jooss; Peter E. Blöchl
Source: check_circle
Crossref

Surface resonance of the (2×1) reconstructed lanthanum hexaboride (001)-cleavage plane: A combined STM and DFT study

Physical Review B
2019-11-06 | Journal article
DOI: 10.1103/PhysRevB.100.205407
Contributors: P. Buchsteiner; F. Sohn; J. G. Horstmann; J. Voigt; M. Ciomaga Hatnean; G. Balakrishnan; C. Ropers; P. E. Blöchl; M. Wenderoth
Source: check_circle
Crossref

Density functional study of half-metallicity and spin polarization in Fe1−x T x S2 with T = Mn,Ni

Journal of Physics: Condensed Matter
2018-08-01 | Journal article
DOI: 10.1088/1361-648X/aacc5a
Contributors: Abdesalem Houari; Peter E Blöchl
Source: check_circle
Crossref

Reduced density-matrix functionals from many-particle theory

The European Physical Journal Special Topics
2017-07 | Journal article
DOI: 10.1140/epjst/e2017-70046-0
Contributors: Robert Schade; Ebad Kamil; Peter Blöchl
Source: check_circle
Crossref

Method to include explicit correlations into density-functional calculations based on density-matrix functional theory

Physical Review B
2011 | Journal article
DOI:

10.1103/PhysRevB.84.205101
Contributors: Bloechl, Peter E.; Walther, Christian F. J.; Pruschke, Thomas
Source: Self-asserted source
Peter Blöchl via ResearcherID

The workings of nitrogenase and new developments of the projector augmented wave method

Abstracts of Papers of the American Chemical Society
2009 | Journal article
Contributors: Bloechl, Peter E.; Kaestner, Johannes; Hemmen, Sascha
Source: Self-asserted source
Peter Blöchl via ResearcherID

Dynamical dimer method for the determination of transition states with ab initio molecular dynamics

Journal of Chemical Physics
2008 | Journal article
DOI:

10.1063/1.2826338
Contributors: Poddey, Alexander; Bloechl, Peter E.
Source: Self-asserted source
Peter Blöchl via ResearcherID
grade
Preferred source (of 2)‎

Ammonia production at the FeMo cofactor of nitrogenase: Results from density functional theory

Journal of the American Chemical Society
2007 | Journal article
DOI:

10.1021/ja068618h
Contributors: Kaestner, Johannes; Bloechl, Peter E.
Source: Self-asserted source
Peter Blöchl via ResearcherID
grade
Preferred source (of 2)‎

Band alignment at the La2Hf2O7/(001)Si interface

Applied Physics Letters
2006 | Journal article
DOI:

10.1063/1.2204572
Contributors: Seguini, G; Spiga, S; Bonera, E; Fanciulli, M; Huamantinco, AR; Forst, CJ; Ashman, CR; Blochl, PE; Dimoulas, A; Mavrou, G
Source: Self-asserted source
Peter Blöchl via ResearcherID

Ab-initio simulations on growth and interface properties of epitaxial oxides on silicon

Microelectronic Engineering
2005 | Journal article
DOI:

10.1016/j.mee.2005.04.100
Contributors: Forst, CJ; Ashman, CR; Schwarz, K; Blochl, PE
Source: Self-asserted source
Peter Blöchl via ResearcherID

Activation and protonation of dinitrogen at the FeMo cofactor of nitrogenase

Journal of Chemical Physics
2005 | Journal article
DOI:

10.1063/1.2008227
Contributors: Kastner, J; Hemmen, S; Blochl, PE
Source: Self-asserted source
Peter Blöchl via ResearcherID
grade
Preferred source (of 2)‎

Model for acetylene reduction by nitrogenase derived from density functional theory

Inorganic Chemistry
2005 | Journal article
DOI:

10.1021/ic0500311
Contributors: Kastner, J; Blochl, PE
Source: Self-asserted source
Peter Blöchl via ResearcherID
grade
Preferred source (of 2)‎

Structural and electronic properties of the interface between the high-k oxide LaAlO3 and Si(001)

Physical Review Letters
2005 | Journal article
DOI:

10.1103/PhysRevLett.95.137602
Contributors: Forst, CJ; Schwarz, K; Blochl, PE
Source: Self-asserted source
Peter Blöchl via ResearcherID

Structural and electronic properties of the interface between the high-k Oxide LaAlO3 and Si(001).

Phys Rev Lett
2005 | Journal article
Part of ISSN:

0031-9007
Contributors: Först, C. J.; Schwarz, K.; Blöchl, P. E.
Source: Self-asserted source
Peter Blöchl via ResearcherID

Towards an understanding of the workings of nitrogenase from DFT calculations

Chemphyschem
2005 | Journal article
DOI:

10.1002/cphc.200400474
Contributors: Kastner, J; Blochl, PE
Source: Self-asserted source
Peter Blöchl via ResearcherID
grade
Preferred source (of 2)‎

Chemistry of La on the Si(001) surface from first principles

Physical Review B
2004 | Journal article
DOI:

10.1103/PhysRevB.70.155330
Contributors: Ashman, CR; Forst, CJ; Schwarz, K; Blochl, PE
Source: Self-asserted source
Peter Blöchl via ResearcherID

First-principles calculations of strontium on Si(001)

Physical Review B
2004 | Journal article
DOI:

10.1103/PhysRevB.69.075309
Contributors: Ashman, CR; Forst, CJ; Schwarz, K; Blochl, PE
Source: Self-asserted source
Peter Blöchl via ResearcherID

Interaction of NaCl with solid water

Journal of Chemical Physics
2004 | Journal article
DOI:

10.1063/1.1805498
Contributors: Borodin, A; Hofft, O; Kahnert, U; Kempter, V; Poddey, A; Blochl, PE
Source: Self-asserted source
Peter Blöchl via ResearcherID
grade
Preferred source (of 2)‎

The interface between silicon and a high-k oxide

Nature
2004 | Journal article
DOI:

10.1038/nature02204
Contributors: Forst, CJ; Ashman, CR; Schwarz, K; Blochl, PE
Source: Self-asserted source
Peter Blöchl via ResearcherID
grade
Preferred source (of 2)‎

Ab initio molecular dynamics with a continuum solvation model

Journal of Chemical Physics
2003 | Journal article
DOI:

10.1063/1.1528890
Contributors: Senn, HM; Margl, PM; Schmid, R; Ziegler, T; Blochl, PE
Source: Self-asserted source
Peter Blöchl via ResearcherID

Heteroepitaxial growth of high-k gate oxides on silicon: insights from first-principles calculations on Zr on Si(001)

Computational Materials Science
2003 | Journal article
DOI:

10.1016/S0927-0256(02)00427-5
Contributors: Forst, CJ; Blochl, PE; Schwarz, K
Source: Self-asserted source
Peter Blöchl via ResearcherID

Implementation of an all-electron GW approximation based on the projector augmented wave method without plasmon pole approximation: Application to Si, SiC, AlAs, InAs, NaH, and KH

Physical Review B
2003 | Journal article
DOI:

10.1103/PhysRevB.67.155208
Contributors: Lebegue, S; Arnaud, B; Alouani, M; Bloechl, PE
Source: Self-asserted source
Peter Blöchl via ResearcherID

Nitrogen binding to the FeMo-cofactor of nitrogenase

Journal of the American Chemical Society
2003 | Journal article
DOI:

10.1021/ja0367997
Contributors: Schimpl, J; Petrilli, HM; Blochl, PE
Source: Self-asserted source
Peter Blöchl via ResearcherID
grade
Preferred source (of 2)‎

Projector augmented wave method: ab initio molecular dynamics with full wave functions

Bulletin of Materials Science
2003 | Journal article
DOI:

10.1007/BF02712785
Contributors: Blochl, PE; Forst, CJ; Schimpl, J
Source: Self-asserted source
Peter Blöchl via ResearcherID

A Car-Parrinello study of the formation of oxidizing intermediates from Fenton's reagent in aqueous solution

Physical Chemistry Chemical Physics
2002 | Journal article
DOI:

10.1039/b201864k
Contributors: Ensing, B; Buda, F; Blochl, PE; Baerends, EJ
Source: Self-asserted source
Peter Blöchl via ResearcherID

LDA+U calculated electronic and structural properties of NiO(001) and NiO(111) p(2 x 2) surfaces

Computational Materials Science
2002 | Journal article
DOI:

10.1016/S0927-0256(02)00186-6
Contributors: Bengone, O; Alouani, M; Hugel, J; Blochl, P
Source: Self-asserted source
Peter Blöchl via ResearcherID

Sampling phase space by a combined QM/MM ab initio Car-Parrinello molecular dynamics method with different (multiple) time steps in the quantum mechanical (QM) and molecular mechanical (MM) domains

Journal of Physical Chemistry a
2002 | Journal article
DOI:

10.1021/jp0135860
Contributors: Woo, TK; Margl, P; Blochl, PE; Ziegler, T
Source: Self-asserted source
Peter Blöchl via ResearcherID

Second-generation wave-function thermostat for ab initio molecular dynamics

Physical Review B
2002 | Journal article
DOI:

10.1103/PhysRevB.65.104303
Contributors: Blochl, PE
Source: Self-asserted source
Peter Blöchl via ResearcherID

Chemical involvement of solvent water molecules in elementary steps of the fenton oxidation reaction

Angewandte Chemie-International Edition
2001 | Journal article
DOI:

10.1002/1521-3773(20010803)40:15<2893::AID-ANIE2893>3.0.CO;2-B
Contributors: Ensing, B; Buda, F; Blochl, P; Baerends, EJ
Source: Self-asserted source
Peter Blöchl via ResearcherID
grade
Preferred source (of 2)‎

Solvation effects on the S(N)2 reaction between CH3Cl and Cl- in water

Journal of Physical Chemistry a
2001 | Journal article
DOI:

10.1021/jp003468x
Contributors: Ensing, B; Meijer, EJ; Blochl, PE; Baerends, EJ
Source: Self-asserted source
Peter Blöchl via ResearcherID

Static DFT and ab initio molecular dynamics studies on catalytic alkene hydroamination.

Abstracts of Papers of the American Chemical Society
2001 | Journal article
Contributors: Senn, HM; Blochl, PE; Togni, A
Source: Self-asserted source
Peter Blöchl via ResearcherID

First-principles calculations of defects in oxygen-deficient silica exposed to hydrogen

Physical Review B
2000 | Journal article
DOI:

10.1103/PhysRevB.62.6158
Contributors: Blochl, PE
Source: Self-asserted source
Peter Blöchl via ResearcherID

Implementation of the projector augmented-wave LDA+U method: Application to the electronic structure of NiO

Physical Review B
2000 | Journal article
DOI:

10.1103/PhysRevB.62.16392
Contributors: Bengone, O; Alouani, M; Blochl, P; Hugel, J
Source: Self-asserted source
Peter Blöchl via ResearcherID

Monomer capture in Brookhart's Ni(II) diimine olefin polymerization catalyst: Static and dynamic quantum mechanics/molecular mechanics study

Journal of Physical Chemistry a
2000 | Journal article
DOI:

10.1021/jp992607b
Contributors: Woo, TK; Blochl, PE; Ziegler, T
Source: Self-asserted source
Peter Blöchl via ResearcherID

Phosphane lone-pair energies as a measure of ligand donor strengths and relation to activation energies

Journal of Molecular Structure-Theochem
2000 | Journal article
DOI:

10.1016/S0166-1280(00)00415-2
Contributors: Senn, HM; Deubel, DV; Blochl, PE; Togni, A; Frenking, G
Source: Self-asserted source
Peter Blöchl via ResearcherID

Taming the ground-state and optical properties of transition metal oxides

Computational Materials Science
2000 | Journal article
DOI:

10.1016/S0927-0256(00)00012-4
Contributors: Bengone, O; Alouani, M; Hugel, J; Blochl, P
Source: Self-asserted source
Peter Blöchl via ResearcherID

Toward an alkene hydroamination catalyst: Static and dynamic ab initio DFT studies

Journal of the American Chemical Society
2000 | Journal article
DOI:

10.1021/ja992689h
Contributors: Senn, HM; Blochl, PE; Togni, A
Source: Self-asserted source
Peter Blöchl via ResearcherID

Towards solvation simulations with a combined ab initio molecular dynamics and molecular mechanics approach

Journal of Molecular Structure-Theochem
2000 | Journal article
DOI:

10.1016/S0166-1280(00)00424-3
Contributors: Woo, TK; Blochl, PE; Ziegler, T
Source: Self-asserted source
Peter Blöchl via ResearcherID

Aspects of defects in silica related to dielectric breakdown of gate oxides in MOSFETs

Physica B-Condensed Matter
1999 | Journal article
DOI:

10.1016/S0921-4526(99)00628-6
Contributors: Blochl, PE; Stathis, JH
Source: Self-asserted source
Peter Blöchl via ResearcherID

First-principles molecular dynamics study of small molecules in zeolites

Catalysis Today
1999 | Journal article
DOI:

10.1016/S0920-5861(98)00484-2
Contributors: Schwarz, K; Nusterer, E; Blochl, PE
Source: Self-asserted source
Peter Blöchl via ResearcherID

Hydrogen electrochemistry and stress-induced leakage current in silica

Physical Review Letters
1999 | Journal article
DOI:

10.1103/PhysRevLett.83.372
Contributors: Blochl, PE; Stathis, JH
Source: Self-asserted source
Peter Blöchl via ResearcherID
Items per page:
Page 1 of 3

Peer review (1 review for 1 publication/grant)

Review activity for Journal of chemical theory and computation : (1)
How many people are using ORCID?