Condensed Matter Theory Group

The activities of the Condensed Matter Theory (CMT) group focus on both applied and fundamental topics in condensed matter physics, material science, and the biological sciences. Aside from pursuing its own research, CMT provides theoretical support to experiments done at PSI. Particular interests include frustrated magnetism, disordered and/or strongly correlated systems, quantum dynamics and transport, plasticity, and the principles governing bio-molecules.

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CMT Projects

  • DMol3
  • multiX – Modelling of XAS and RIXS spectra
  • QTC@PSI – The CMT group of LSM is a member of the Quantum Technology Collaboration at PSI
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CMT Seminar

  • The CMT group organises a special series of events the CMT Seminar
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CMT Group Members


Chen Jyong-Hao.jpg Chen, Jyong-Hao
PhD student
Building/Room: WHGA/125
Telephone: +41 56 310 5328
E-mail: jyong-hao.chen@psi.ch
Delley Bernard.jpg Delley, Bernard, Dr.
Senior scientist (Emeritus)
Building/Room: WHGA/123
Telephone: +41 56 310 3665
E-mail: bernard.delley@psi.ch
Derlet Peter.jpg Derlet, Peter, Dr.
Senior scientist
Building/Room: WHGA/138
Telephone: +41 56 310 3164
E-mail: peter.derlet@psi.ch
Deupi Xavier.jpg Deupi, Xavier, Dr.
Senior scientist
Building/Room: WHGA/123
Telephone: +41 56 310 3337
E-mail: xavier.deupi@psi.ch
Grimm Manuel.jpg Grimm, Manuel
PhD student
Building/Room: WHGA/129
Telephone: +41 56 310 2778
E-mail: manuel.grimm@psi.ch
Jekal Soyoung.jpg Jekal, So Young
PhD student
Building/Room: WHGA/125
Telephone: +41 56 310 4043
E-mail: so-young.jekal@psi.ch
Mudry Christopher.jpg Mudry, Christopher, Dr.
Group leader
Building/Room: WHGA/128
Telephone: +41 56 310 4247
E-mail: christopher.mudry@psi.ch
Mueller Markus.jpg Müller, Markus, Dr.
Senior scientist
Building/Room: WHGA/136
Telephone: +41 56 310 4430
E-mail: markus.mueller@psi.ch
Schildknecht Dominik.jpg Schildknecht, Dominik
PhD student
Building/Room: WHGA/129
Telephone: +41 56 310 5568
E-mail: dominik.schildknecht@psi.ch
Schuett Michael.jpg Schütt, Michael, Dr.
Postdoc
Building/Room: WHGA/123
Telephone: +41 56 310 3155
E-mail: michael.schuett@psi.ch
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CMT Publication List

2018

  • Collective magnetism in an artificial 2D XY spin system Leo Naemi, Holenstein Stefan, Schildknecht Dominik, Sendetskyi Oles, Luetkens Hubertus, Derlet Peter M, Scagnoli Valerio, Lancon Diane, Mardegan Jose Rl, Prokscha Thomas, Suter Andreas, Salman Zaher, Lee Stephen, Heyderman Laura J
    NATURE COMMUNICATIONS 9, 2850 (2018).
    DOI: 10.1038/s41467-018-05216-2
  • Collision-dominated conductance in clean two-dimensional metals Uzair A, Sabeeh K, Müller M
    PHYSICAL REVIEW B 98, 035421 (2018).
    DOI: 10.1103/PhysRevB.98.035421
  • Computational logic with square rings of nanomagnets Arava Hanu, Derlet Peter M, Vijayakumar Jaianth, Cui Jizhai, Bingham Nicholas S, Kleibert Armin, Heyderman Laura J
    NANOTECHNOLOGY 29, 265205 (2018).
    DOI: 10.1088/1361-6528/aabbc3
  • Convergent evolution of tertiary structure in rhodopsin visual proteins from vertebrates and box jellyfish Gerrard E, Mutt E, Nagata T, Koyanagi M, Flock T, Lesca E, Schertler Gebhard FX, Terakita A, Deupi X, Lucas Robert J
    Proceedings of the National Academy of Sciences 115, 6201 (2018).
    DOI: 10.1073/pnas.1721333115
  • Element specific determination of the magnetic properties of two macrocyclic tetranuclear 3d?4f complexes with a Cu 3 Tb core by means of X-ray magnetic circular dichroism (XMCD) Balinski K, Schneider L, Wöllermann J, Buling A, Joly L, Piamonteze C, Feltham HLC, Brooker S, Powell AK, Delley B, Kuepper K
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20, 21286 (2018).
    DOI: 10.1039/C7CP08689J
  • GPCR-SAS: A web application for statistical analyses on G protein-coupled receptors sequences Gomez Tamayo Jose Carlos, Olivella Mireia, Rios Santiago, Hoogstraat Marlous, Gonzalez Angel, Mayol Eduardo, Deupi Xavier, Campillo Mercedes, Cordomi Arnau
    PLOS ONE 13, e0199843 (2018).
    DOI: 10.1371/journal.pone.0199843
  • Giant Pressure Dependence and Dimensionality Switching in a Metal-Organic Quantum Antiferromagnet Wehinger B, Fiolka C, Lanza A, Scatena R, Kubus M, Grockowiak A, Coniglio WA, Graf D, Skoulatos M, Chen JH, Gukelberger J, Casati N, Zaharko O, Macchi P, Krämer KW, Tozer S, Mudry C, Normand B, Rüegg Ch
    PHYSICAL REVIEW LETTERS 121, 117201 (2018).
    DOI: 10.1103/PhysRevLett.121.117201
  • Magnetic properties of single rare-earth atoms on graphene/Ir(111) Baltic Romana, Donati Fabio, Singha Aparajita, Waeckerlin Christian, Dreiser Jan, Delley Bernard, Pivetta Marina, Rusponi Stefano, Brune Harald
    PHYSICAL REVIEW B 98, 024412 (2018).
    DOI: 10.1103/PhysRevB.98.024412
  • Micro-plasticity and recent insights from intermittent and small-scale plasticity Maass R, Derlet P M
    ACTA MATERIALIA 143, 338-363 (2018).
    DOI: 10.1016/j.actamat.2017.06.023
  • Multiferroic Magnetic Spirals Induced by Random Magnetic Exchanges Scaramucci Andrea, Shinaoka Hiroshi, Mostovoy Maxim V, Mueller Markus, Mudry Christopher, Troyer Matthias, Spaldin Nicola A
    PHYSICAL REVIEW X 8, 011005 (2018).
    DOI: 10.1103/PhysRevX.8.011005
  • Phase diagram of dipolar-coupled XY moments on disordered square lattices Schildknecht D, Heyderman Laura J, Derlet Peter M
    PHYSICAL REVIEW B 98, 064420 (2018).
    DOI: 10.1103/PhysRevB.98.064420
  • Thermally-activated stress relaxation in a model amorphous solid and the formation of a system-spanning shear event Derlet P M, Maass R
    ACTA MATERIALIA 143, 205-213 (2018).
    DOI: 10.1016/j.actamat.2017.10.020
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2017

  • Absence of long-range order in the frustrated magnet SrDy2O4 due to trapped defects from a dimensionality crossover Gauthier N, Fennell A, Prévost B, Uldry AC, Delley B, Sibille R, Désilets-Benoit A, Dabkowska HA, Nilsen GJ, Regnault LP, White JS, Niedermayer C, Pomjakushin V, Bianchi AD, Kenzelmann M
    PHYSICAL REVIEW B 95, 134430 (2017).
    DOI: 10.1103/PhysRevB.95.134430
  • Absence of many-body localization in a continuum Gornyi IV, Mirlin AD, Müller M, Polyakov DG
    ANNALEN DER PHYSIK -, 1600365 (2017).
    DOI: 10.1002/andp.201600365
  • Calculations of interaction energy between certain components of large multimolecular complexes Ryzhkov M V, Delley B
    RUSSIAN CHEMICAL BULLETIN 66, 1419-1427 (2017).
    DOI: 10.1007/s11172-017-1902-9
  • Comparison of experimental and theoretical results for the structure and elastic properties of moganite Grimmer H, Delley B
    ZEITSCHRIFT FUR KRISTALLOGRAPHIE - CRYSTALLINE MATERIALS 232, 279 (2017).
    DOI: 10.1515/zkri-2016-1997
  • Coupled spin-1/2 ladders as microscopic models for non-Abelian chiral spin liquids Huang Po-Hao, Chen Jyong-Hao, Feiguin Adrian E, Chamon Claudio, Mudry Christopher
    PHYSICAL REVIEW B 95, 144413 (2017).
    DOI: 10.1103/PhysRevB.95.144413
  • Damage cluster distributions in numerical concrete at the mesoscale Yilmaz Okan, Derlet Peter Michael, Molinari Jean-Francois
    PHYSICAL REVIEW E 95, 043002 (2017).
    DOI: 10.1103/PhysRevE.95.043002
  • Direct observation of enhanced magnetism in individual size- and shape-selected 3d transition metal nanoparticles Kleibert Armin, Balan Ana, Yanes Rocio, Derlet Peter M, Vaz C A F, Timm Martin, Fraile Rodriguez Arantxa, Beche Armand, Verbeeck Jo, Dhaka R S, Radovic Milan, Nowak Ulrich, Nolting Frithjof
    PHYSICAL REVIEW B 95, 195404 (2017).
    DOI: 10.1103/PhysRevB.95.195404
  • Doping Dependence of Collective Spin and Orbital Excitations in the Spin-1 Quantum Antiferromagnet La2-xSrxNiO4 Observed by X Rays Fabbris G, Meyers D, Xu L, Katukuri VM, Hozoi L, Liu X, Chen ZY, Okamoto J, Schmitt T, Uldry A, Delley B, Gu GD, Prabhakaran D, Boothroyd AT, van den Brink J, Huang DJ, Dean MPM
    PHYSICAL REVIEW LETTERS 118, 156402 (2017).
    DOI: 10.1103/PhysRevLett.118.156402
  • Doping-induced superconductivity of ZrB2 and HfB2 Barbero N, Shiroka T, Delley B, Grant T, Machado A J S, Fisk Z, Ott H -R, Mesot J
    PHYSICAL REVIEW B 95, 094505 (2017).
    DOI: 10.1103/PhysRevB.95.094505
  • Electronic structures of endohedral fullerenes with scandium, titanium and iron atoms and metal-carbon clusters Ryzhkov M V, Medvedeva N I, Delley B
    POLYHEDRON 134, 376-384 (2017).
    DOI: 10.1016/j.poly.2017.06.032
  • Interplay between structure and magnetism in the low-dimensional spin system: K(C8H16O4)(2)CuCl3 center dot H2O Van Well Natalija, Bolte Michael, Delley Bernard, Wolf Bernd, Lang Michael, Schefer J, Ruegg Christian, Assmus Wolf, Krellner Cornelius
    CRYSTENGCOMM 19, 1028-1034 (2017).
    DOI: 10.1039/c6ce02331b
  • Linking macroscopic rejuvenation to nano-elastic fluctuations in a metallic glass Ross Perry, Kuchemann Stefan, Derlet Peter M, Yu HaiBin, Arnold Walter, Liaw Peter, Samwer Konrad, Maass Robert
    ACTA MATERIALIA 138, 111-118 (2017).
    DOI: 10.1016/j.actamat.2017.07.043
  • Magnetic charge and moment dynamics in artificial kagome spin ice Farhan A, Derlet P M, Anghinolfi L, Kleibert A, Heyderman L J
    PHYSICAL REVIEW B 96, 064409 (2017).
    DOI: 10.1103/PhysRevB.96.064409
  • Model of chiral spin liquids with Abelian and non-Abelian topological phases Chen Jyong-Hao, Mudry Christopher, Chamon Claudio, Tsvelik A M
    PHYSICAL REVIEW B 96, 224420 (2017).
    DOI: 10.1103/PhysRevB.96.224420
  • Remanent Magnetization: Signature of Many-Body Localization in Quantum Antiferromagnets Ros V, Müller M
    PHYSICAL REVIEW LETTERS 118, 237202 (2017).
    DOI: 10.1103/PhysRevLett.118.237202
  • The DRF motif of CXCR6 as chemokine receptor adaptation to adhesion Eugenin Eliseo A, Koenen A, Babendreyer A, Schumacher J, Pasqualon T, Schwarz N, Seifert A, Deupi X, Ludwig A, Dreymueller D
    PLOS ONE 12, e0173486 (2017).
    DOI: 10.1371/journal.pone.0173486
  • Thermal processing and enthalpy storage of a binary amorphous solid: A molecular dynamics study Derlet Peter M, Maass Robert
    JOURNAL OF MATERIALS RESEARCH 32, 2668-2679 (2017).
    DOI: 10.1557/jmr.2017.251
  • Weyl-type topological phase transitions in fractional quantum Hall like systems Kourtis Stefanos, Neupert Titus, Mudry Christopher, Sigrist Manfred, Chen Wei
    PHYSICAL REVIEW B 96, 205117 (2017).
    DOI: 10.1103/PhysRevB.96.205117
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2016

  • Antiferromagnetic Ordering in the Single-Component Molecular Conductor [Pd(tmdt)(2)] Ogura Satomi, Idobata Yuki, Zhou Biao, Kobayashi Akiko, Takagi Rina, Miyagawa Kazuya, Kanoda Kazushi, Kasai Hidetaka, Nishibori Eiji, Satoko Chikatoshi, Delley Bernard
    INORGANIC CHEMISTRY 55, 7709-7716 (2016).
    DOI: 10.1021/acs.inorgchem.6b01166
  • Backbone NMR reveals allosteric signal transduction networks in the beta1-adrenergic receptor Isogai S, Deupi X, Opitz C, Heydenreich Franziska M, Tsai C, Brueckner F, Schertler Gebhard FX, Veprintsev Dmitry B, Grzesiek S
    NATURE 530, 237 (2016).
    DOI: 10.1038/nature16577
  • Classical impurities and boundary Majorana zero modes in quantum chains Müller M, Nersesyan Alexander A
    ANNALS OF PHYSICS 372, 482 (2016).
    DOI: 10.1016/j.aop.2016.07.025
  • Critical stress statistics and a fold catastrophe in intermittent crystal plasticity Derlet P M, Maass R
    PHYSICAL REVIEW E 94, 033001 (2016).
    DOI: 10.1103/PhysRevE.94.033001
  • Diverse activation pathways in class A GPCRs converge near the G-protein-coupling region Venkatakrishnan AJ, Deupi X, Lebon G, Heydenreich Franziska M, Flock T, Miljus T, Balaji S, Bouvier M, Veprintsev Dmitry B, Tate Christopher G, Schertler G FX, Babu MMadan
    NATURE 536, 484 (2016).
    DOI: 10.1038/nature19107
  • Electronic structure and stability of metal-carbon nanoparticles with Cr, Mn, Fe and W impurities Ryzhkov M V, Medvedeva N I, Delley B
    POLYHEDRON 109, 182-189 (2016).
    DOI: 10.1016/j.poly.2016.01.037
  • Heavy going Mudry Christopher
    NATURE PHYSICS 12, 895-896 (2016).
    DOI: 10.1038/nphys3798
  • Local structural excitations in model glass systems under applied load Swayamjyoti S, Loeffler J F, Derlet P M
    PHYSICAL REVIEW B 93, 144202 (2016).
    DOI: 10.1103/PhysRevB.93.144202
  • Non-Abelian topological spin liquids from arrays of quantum wires or spin chains Huang Po-Hao, Chen Jyong-Hao, Gomes Pedro R S, Neupert Titus, Chamon Claudio, Mudry Christopher
    PHYSICAL REVIEW B 93, 205123 (2016).
    DOI: 10.1103/PhysRevB.93.205123
  • Out-of-Plane Alignment of Er(trensal) Easy Magnetization Axes Using Graphene Dreiser J, Pacchioni Giulia E, Donati F, Gragnaniello L, Cavallin A, Pedersen Kasper S, Bendix J, Delley B, Pivetta M, Rusponi S, Brune H
    ACS Nano 10, 2887 (2016).
    DOI: 10.1021/acsnano.5b08178
  • SAS-6 engineering reveals interdependence between cartwheel and microtubules in determining centriole architecture Hilbert Manuel, Noga Akira, Frey Daniel, Hamel Virginie, Guichard Paul, Kraatz Sebastian H W, Pfreundschuh Moritz, Hosner Sarah, Flueckiger Isabelle, Jaussi Rolf, Wieser Mara M, Thieltges Katherine M, Deupi Xavier, Mueller Daniel J, Kammerer Richard A, Goenczy Pierre, Hirono Masafumi, Steinmetz Michel O
    NATURE CELL BIOLOGY 18, 393-+ (2016).
    DOI: 10.1038/ncb3329
  • Semilocal density functionals and constraint satisfaction Perdew John P, Sun Jianwei, Martin Richard M, Delley Bernard
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 116, 847-851 (2016).
    DOI: 10.1002/qua.25100
  • Strain-induced structural instability in FeRh Aschauer Ulrich, Braddell Roisin, Brechbuhl Sonia A, Derlet Peter M, Spaldin Nicola A
    PHYSICAL REVIEW B 94, 014109 (2016).
    DOI: 10.1103/PhysRevB.94.014109
  • Structural role of the T94I rhodopsin mutation in congenital stationary night blindness Singhal Ankita, Guo Ying, Matkovic Milos, Schertler Gebhard, Deupi Xavier, Yan Elsa C Y, Standfuss Joerg
    EMBO REPORTS 17, 1431-1440 (2016).
    DOI: 10.15252/embr.201642671
  • The quadrapolar character of the Markovnikov reaction transition state Franzen Stefan, Cochran Kristin H, Weng James, Bartolotti Libero, Delley Bernard
    CHEMICAL PHYSICS 464, 46-54 (2016).
    DOI: 10.1016/j.chemphys.2015.11.001
  • The stress statistics of the first pop-in or discrete plastic event in crystal plasticity Derlet P M, Maass R
    JOURNAL OF APPLIED PHYSICS 120, 225101 (2016).
    DOI: 10.1063/1.4971871
  • Thermalization and many-body localization in systems under dynamic nuclear polarization De Luca A, Rodríguez-Arias I, Müller M, Rosso A
    PHYSICAL REVIEW B 94, 014203 (2016).
    DOI: 10.1103/PhysRevB.94.014203
  • Wire constructions of Abelian topological phases in three or more dimensions Iadecola Thomas, Neupert Titus, Chamon Claudio, Mudry Christopher
    PHYSICAL REVIEW B 93, 195136 (2016).
    DOI: 10.1103/PhysRevB.93.195136
  • Wire deconstructionism of two-dimensional topological phases (vol 90, 205101, 2014) Neupert Titus, Chamon Claudio, Mudry Christopher, Thomale Ronny
    PHYSICAL REVIEW B 93, 039905 (2016).
    DOI: 10.1103/PhysRevB.93.039905
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2015

  • A Molecular Pharmacologist's Guide to G Protein-Coupled Receptor Crystallography Piscitelli CL, Kean J, de Graaf C, Deupi X
    MOLECULAR PHARMACOLOGY 88, 536 (2015).
    DOI: 10.1124/mol.115.099663
  • A probabilistic explanation for the size-effect in crystal plasticity Derlet P M, Maass R
    PHILOSOPHICAL MAGAZINE 95, 1829-1844 (2015).
    DOI: 10.1080/14786435.2014.932502
  • Anderson localization and the topology of classifying spaces Morimoto Takahiro, Furusaki Akira, Mudry Christopher
    PHYSICAL REVIEW B 91, 235111 (2015).
    DOI: 10.1103/PhysRevB.91.235111
  • Batch crystallization of rhodopsin for structural dynamics using an X-ray free-electron laser Wu W, Nogly P, Rheinberger J, M Kick L, Gati C, Nelson G, Deupi X, Standfuss J, Schertler G, Panneels V
    ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS 71, 856 (2015).
    DOI: 10.1107/S2053230X15009966
  • Breakdown of the topological classification Z for gapped phases of noninteracting fermions by quartic interactions Morimoto Takahiro, Furusaki Akira, Mudry Christopher
    PHYSICAL REVIEW B 92, 125104 (2015).
    DOI: 10.1103/PhysRevB.92.125104
  • Coherent Ultrafast Magnetization Dynamics Non-resonantly Induced in Cobalt by an Intense Terahertz Transient Vicario C, Ardana-Lamas F, Derlet P M, Tudu B, Luning J, Hauri C P
    ULTRAFAST PHENOMENA XIX 162, 641-644 (2015).
    DOI: 10.1007/978-3-319-13242-6_158
  • Conformational activation of visual rhodopsin in native disc membranes Malmerberg E, Bovee-Geurts PHM, Katona G, Deupi X, Arnlund D, Wickstrand C, Johansson LC, Westenhoff S, Nazarenko E, Schertler GFX, Menzel A, de Grip WJ, Neutze R
    Science Signaling 8, ra26 (2015).
    DOI: 10.1126/scisignal.2005646
  • Crystal size effect in two dimensions ? Influence of size and shape Maaß R, Volkert CA, Derlet PM
    SCRIPTA MATERIALIA 102, 27 (2015).
    DOI: 10.1016/j.scriptamat.2015.02.006
  • Crystal structure and phonon softening in Ca3Ir4Sn13 Mazzone D G, Gerber S, Gavilano J L, Sibille R, Medarde M, Delley B, Ramakrishnan M, Neugebauer M, Regnault L P, Chernyshov D, Piovano A, Fernandez-Diaz T M, Keller L, Cervellino A, Pomjakushina E, Conder K, Kenzelmann M
    PHYSICAL REVIEW B 92, 024101 (2015).
    DOI: 10.1103/PhysRevB.92.024101
  • Dynamics and Correlations among Soft Excitations in Marginally Stable Glasses Yan L, Baity-Jesi M, Müller M, Wyart M
    PHYSICAL REVIEW LETTERS 114, 247208 (2015).
    DOI: 10.1103/PhysRevLett.114.247208
  • Dynamics in many-body localized quantum systems without disorder Schiulaz M, Silva A, Müller M
    PHYSICAL REVIEW B 91, 184202 (2015).
    DOI: 10.1103/PhysRevB.91.184202
  • Fractional (Chern and topological) insulators Neupert Titus, Chamon Claudio, Iadecola Thomas, Santos Luiz H, Mudry Christopher
    PHYSICA SCRIPTA T164, 014005 (2015).
    DOI: 10.1088/0031-8949/2015/T164/014005
  • In situ measurements of a homogeneous to heterogeneous transition in the plastic response of ion-irradiated < 111 > Ni microspecimens Zhao Xinyu, Strickland Daniel J, Derlet Peter M, He Mo-rigen, Cheng You-Jung, Pu Jue, Hattar Khalid, Gianola Daniel S
    ACTA MATERIALIA 88, 121-135 (2015).
    DOI: 10.1016/j.actamat.2015.01.007
  • Influence of the Fermi Surface Morphology on the Magnetic Field-Driven Vortex Lattice Structure Transitions in YBa2Cu3O7-d: d = 0, 0.15 Galvan Leos N, White JS, Lim JA, Gavilano JL, Delley B, Lemberger L, Holmes AT, Medarde M, Loew T, Hinkov V, Lin CT, Laver M, Dewhurst CD, Forgan EM
    JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 84, 044709 (2015).
    DOI: 10.7566/JPSJ.84.044709
  • Manipulating magnetism in La0.7Sr0.3MnO3 via piezostrain Heidler J, Piamonteze C, Chopdekar R, Uribe-Laverde M, Alberca A, Buzzi M, Uldry A, Delley B, Bernhard C, Nolting F
    PHYSICAL REVIEW B 91, 024406 (2015).
    DOI: 10.1103/PhysRevB.91.024406
  • Molecular adsorption and methanol synthesis on the oxidized Cu/ZnO(0001) surface Lyle Matthew J, Warschkow Oliver, Delley Bernard, Stampfl Catherine
    SURFACE SCIENCE 641, 97-104 (2015).
    DOI: 10.1016/j.susc.2015.05.010
  • Probing Galpha_i1 protein activation at single?amino acid resolution Sun D, Flock T, Deupi X, Maeda S, Matkovic M, Mendieta S, Mayer D, Dawson R, Schertler G, Babu M, Veprintsev D
    NATURE STRUCTURAL & MOLECULAR BIOLOGY 22, 686 (2015).
    DOI: 10.1038/nsmb.3070
  • Rate-dependent shear-band initiation in a metallic glass Toennies D, Samwer K, Derlet P M, Volkert C A, Maass R
    APPLIED PHYSICS LETTERS 106, 171907 (2015).
    DOI: 10.1063/1.4919134
  • Strong antiferromagnetic exchange between manganese phthalocyanine and ferromagnetic europium oxide Waeckerlin Christian, Donati Fabio, Singha Aparajita, Baltic Romana, Uldry Anne-Christine, Delley Bernard, Rusponi Stefano, Dreiser Jan
    CHEMICAL COMMUNICATIONS 51, 12958-12961 (2015).
    DOI: 10.1039/c5cc01823d
  • Surface Aligned Magnetic Moments and Hysteresis of an Endohedral Single-Molecule Magnet on a Metal Westerstroem Rasmus, Uldry Anne-Christine, Stania Roland, Dreiser Jan, Piamonteze Cinthia, Muntwiler Matthias, Matsui Fumihiko, Rusponi Stefano, Brune Harald, Yang Shangfeng, Popov Alexey, Buechner Bernd, Delley Bernard, Greber Thomas
    PHYSICAL REVIEW LETTERS 114, 087201 (2015).
    DOI: 10.1103/PhysRevLett.114.087201
  • TMalphaDB and TMbetaDB: web servers to study the structural role of sequence motifs in alpha-helix and beta-barrel domains of membrane proteins Perea M, Lugtenburg I, Mayol E, Cordomí A, Deupí X, Pardo L, Olivella M
    BMC BIOINFORMATICS 16, 266 (2015).
    DOI: 10.1186/s12859-015-0699-5
  • Thermodynamic phase transitions in a frustrated magnetic metamaterial Anghinolfi L, Luetkens H, Perron J, Flokstra M G, Sendetskyi O, Suter A, Prokscha T, Derlet P M, Lee S L, Heyderman L J
    NATURE COMMUNICATIONS 6, 8278 (2015).
    DOI: 10.1038/ncomms9278
  • Universal power-law strengthening in metals? Derlet P M, Maass R
    SCRIPTA MATERIALIA 109, 19-22 (2015).
    DOI: 10.1016/j.scriptamat.2015.07.009
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2014

  • Accessing topological order in fractionalized liquids with gapped edges Iadecola Thomas, Neupert Titus, Chamon Claudio, Mudry Christopher
    PHYSICAL REVIEW B 90, 205115 (2014).
    DOI: 10.1103/PhysRevB.90.205115
  • CHx adsorption (x=1-4) and thermodynamic stability on the CeO2(111) surface: a first-principles investigation Fronzi Marco, Piccinin Simone, Delley Bernard, Traversa Enrico, Stampfl Catherine
    RSC ADVANCES 4, 12245-12251 (2014).
    DOI: 10.1039/c4ra01224k
  • Coronin 1 Regulates Cognition and Behavior through Modulation of cAMP/Protein Kinase A Signaling Dalva M, Jayachandran R, Liu X, BoseDasgupta S, Müller P, Zhang C, Moshous D, Studer V, Schneider J, Genoud C, Fossoud C, Gambino F, Khelfaoui M, Müller C, Bartholdi D, Rossez H, Stiess M, Houbaert X, Jaussi R, Frey D, Kammerer Richard A, Deupi X, de Villartay J, Lüthi A, Humeau Y, Pieters J
    PLOS BIOLOGY 12, e1001820 (2014).
    DOI: 10.1371/journal.pbio.1001820
  • Density functional calculations of polysynthetic Brazil twinning in a-quartz. Corrigenda und addenda Grimmer H, Delley B
    ACTA CRYSTALLOGRAPHICA SECTION A A70, 682 (2014).
  • Density functional calculations of polysynthetic Brazil twinning in alpha-quartz (vol A68, pg 359, 2012) Grimmer Hans, Delley Bernard
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES 70, 682-682 (2014).
    DOI: 10.1107/S2053273314016842
  • Direct Observation of Magnetic Metastability in Individual Iron Nanoparticles Balan A, Derlet PM, Fraile Rodriguez A, Bansmann J, Yanes R, Nowak U, Kleibert A, Nolting F
    PHYSICAL REVIEW LETTERS 112, 107201 (2014).
    DOI: 10.1103/PhysRevLett.112.107201
  • Effective field theory for the bulk-edge correspondence in a two-dimensional Z(2) topological insulator with Rashba interactions Gomes Pedro R S, Huang Po-Hao, Chamon Claudio, Mudry Christopher
    PHYSICAL REVIEW B 90, 115144 (2014).
    DOI: 10.1103/PhysRevB.90.115144
  • Evidence for SrHo2O4 and SrDy2O4 as model J(1)-J(2) zigzag chain materials Fennell A, Pomjakushin V Y, Uldry A, Delley B, Prevost B, Desilets-Benoit A, Bianchi A D, Bewley R I, Hansen B R, Klimczuk T, Cava R J, Kenzelmann M
    PHYSICAL REVIEW B 89, 224511 (2014).
    DOI: 10.1103/PhysRevB.89.224511
  • Fractional Chern Insulators with Strong Interactions that Far Exceed Band Gaps Kourtis Stefanos, Neupert Titus, Chamon Claudio, Mudry Christopher
    PHYSICAL REVIEW LETTERS 112, 126806 (2014).
    DOI: 10.1103/PhysRevLett.112.126806
  • Functional map of arrestin-1 at single amino acid resolution Ostermaier Martin K, Peterhans Christian, Jaussi Rolf, Deupi Xavier, Standfuss Joerg
    PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 111, 1825-1830 (2014).
    DOI: 10.1073/pnas.1319402111
  • Independence of Slip Velocities on Applied Stress in Small Crystals Maaß R, Derlet PM, Greer JR
    SMALL 11, 341 (2014).
    DOI: 10.1002/smll.201400849
  • Linking high- and low-temperature plasticity in bulk metallic glasses II: use of a log-normal barrier energy distribution and a mean-field description of high-temperature plasticity Derlet P M, Maass R
    PHILOSOPHICAL MAGAZINE 94, 2776-2803 (2014).
    DOI: 10.1080/14786435.2014.932461
  • Local structural excitations in model glasses Swayamjyoti S, Loeffler J F, Derlet P M
    PHYSICAL REVIEW B 89, 224201 (2014).
    DOI: 10.1103/PhysRevB.89.224201
  • MOLECULAR DYNAMICS A stitch in time Deupi Xavier
    NATURE CHEMISTRY 6, 7-8 (2014).
    DOI: 10.1038/nchem.1832
  • Mixed Dimensionality of Confined Conducting Electrons in the Surface Region of SrTiO3 Plumb N C, Salluzzo M, Razzoli E, Mansson M, Falub M, Krempasky J, Matt C E, Chang J, Schulte M, Braun J, Ebert H, Minar J, Delley B, Zhou K -J, Schmitt T, Shi M, Mesot J, Patthey L, Radovic M
    PHYSICAL REVIEW LETTERS 113, 086801 (2014).
    DOI: 10.1103/PhysRevLett.113.086801
  • Molecular dynamics computation of the dynamical structure factor of a Lennard-Jones glass: Propagation of acoustic modes at the nm-scale Valles Araceli, Derlet Peter, Crespo Daniel, Pineda Eloi
    JOURNAL OF ALLOYS AND COMPOUNDS 586, S250-S253 (2014).
    DOI: 10.1016/j.jallcom.2012.11.174
  • Non-resonant ultrafast magnetization driven by THz pulses Vicario C, Ruchert C, Derlet P M, Shalaby M, Tudu B, Luning J, Hauri C P
    2014 39TH INTERNATIONAL CONFERENCE ON INFRARED, MILLIMETER, AND TERAHERTZ WAVES (IRMMW-THZ) , (2014).
  • Persistence of magnetic order in a highly excited Cu2+ state in CuO Staub U, de Souza R A, Beaud P, Moehr-Vorobeva E, Ingold G, Caviezel A, Scagnoli V, Delley B, Turner J J, Krupin O, Lee W -S, Chuang Y -D, Patthey L, Moore R G, Lu D, Yi M, Kirchmann P S, Trigo M, Denes P, Doering D, Hussain Z, Shen Z X, Prabhakaran D, Boothroyd A T, Johnson S L
    PHYSICAL REVIEW B 89, 220401 (2014).
    DOI: 10.1103/PhysRevB.89.220401
  • Persistence of magnetic order in a highly excited Cu2+ state in CuO (vol 89, 220401, 2014) Staub U, de Souza R A, Beaud P, Moehr-Vorobeva E, Ingold G, Caviezel A, Scagnoli V, Delley B, Schlotter W F, Turner J J, Krupin O, Lee W -S, Chuang Y -D, Patthey L, Moore R G, Lu D, Yi M, Kirchmann P S, Trigo M, Denes P, Doering D, Hussain Z, Shen Z X, Prabhakaran D, Boothroyd A T, Johnson S L
    PHYSICAL REVIEW B 90, 019903 (2014).
    DOI: 10.1103/PhysRevB.90.019903
  • Photochemistry of 6-amino-2-azido, 2-amino-6-azido and 2,6-diazido analogues of purine ribonucleosides in aqueous solutions Komodzinski Krzysztof, Lepczynska Jolanta, Gdaniec Zofia, Bartolotti Libero, Delley Bernard, Franzen Stefan, Skalski Bohdan
    PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES 13, 563-573 (2014).
    DOI: 10.1039/c3pp50385b
  • Relevance of rhodopsin studies for GPCR activation Deupi Xavier
    BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS 1837, 674-682 (2014).
    DOI: 10.1016/j.bbabio.2013.09.002
  • Reply to "Comment on 'Elementary formula for the Hall conductivity of interacting systems'" Neupert Titus, Santos Luiz, Chamon Claudio, Mudry Christopher
    PHYSICAL REVIEW B 89, 127102 (2014).
    DOI: 10.1103/PhysRevB.89.127102
  • Retinal proteins - You can teach an old dog new tricks Foreword Heberle Joachim, Deupi Xavier, Schertler Gebhard
    BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS 1837, 531-532 (2014).
    DOI: 10.1016/j.bbabio.2014.02.019
  • Spatial ordering of nano-dislocation loops in ion-irradiated materials Dudarev S L, Arakawa K, Yi X, Yao Z, Jenkins M L, Gilbert M R, Derlet P M
    JOURNAL OF NUCLEAR MATERIALS 455, 16-20 (2014).
    DOI: 10.1016/j.jnucmat.2014.02.032
  • Spin-Wave Spectrum of the Quantum Ferromagnet on the Pyrochlore Lattice Lu2V2O7 Mena M, Perry RS, Perring TG, Le MD, Guerrero S, Storni M, Adroja DT, Rueegg C, McMorrow DF
    PHYSICAL REVIEW LETTERS 113, 047202 (2014).
    DOI: 10.1103/PhysRevLett.113.047202
  • Spin-directed network model for the surface states of weak three-dimensional Z(2) topological insulators Obuse Hideaki, Ryu Shinsei, Furusaki Akira, Mudry Christopher
    PHYSICAL REVIEW B 89, 155315 (2014).
    DOI: 10.1103/PhysRevB.89.155315
  • Structural and Functional Characterization of Alternative Transmembrane Domain Conformations in VEGF Receptor 2 Activation Manni Sandro, Mineev Konstantin S, Usmanova Dinara, Lyukmanova Ekaterina N, Shulepko Mikhail A, Kirpichnikov Mikhail P, Winter Jonas, Matkovic Milos, Deupi Xavier, Arseniev Alexander S, Ballmer-Hofer Kurt
    STRUCTURE 22, 1077-1089 (2014).
    DOI: 10.1016/j.str.2014.05.010
  • Symmetry-protected entangling boundary zero modes in crystalline topological insulators Chang Po-Yao, Mudry Christopher, Ryu Shinsei
    JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT , P09014 (2014).
    DOI: 10.1088/1742-5468/2014/09/P09014
  • Terahertz-driven non-resonant magnetization dynamics in cobalt Vicario C, Ruchert C, Ardana-Lamas F, Derlet P M, Tudu B, Luning J, Hauri C P
    2014 CONFERENCE ON LASERS AND ELECTRO-OPTICS (CLEO) , (2014).
  • The coupling of tautomerization to hydration in the transition state on the pyrimidine photohydration reaction path Franzen S, Skalski B, Bartolotti L, Delley B
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS 16, 20164-20174 (2014).
    DOI: 10.1039/c4cp02160f
  • The effects of mesoscale confinement in Pu clusters and isolated particles Ryzhkov M V, Mirmelstein A, Delley B, Yu S -W, Chung B W, Tobin J G
    JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 194, 45-56 (2014).
    DOI: 10.1016/j.elspec.2013.11.015
  • Thermally induced magnetic relaxation in building blocks of artificial kagome spin ice Farhan Alan, Kleibert Armin, Derlet Peter M, Anghinolfi Luca, Balan Ana, Chopdekar Rajesh V, Wyss Marcus, Gliga Sebastian, Nolting Frithjof, Heyderman Laura J
    PHYSICAL REVIEW B 89, 214405 (2014).
    DOI: 10.1103/PhysRevB.89.214405
  • Topological BF theory of the quantum hydrodynamics of incompressible polar fluids Tiwari Apoorv, Chen Xiao, Neupert Titus, Santos Luiz H, Ryu Shinsei, Chamon Claudio, Mudry Christopher
    PHYSICAL REVIEW B 90, 235118 (2014).
    DOI: 10.1103/PhysRevB.90.235118
  • Why does bromine square palladium off? An ab initio study of brominated palladium and its nanomorphology Yoo SuHyun, Lee JiHwan, Delley Bernard, Soon Aloysius
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS 16, 18570-18577 (2014).
    DOI: 10.1039/c4cp02384f
  • Wire deconstructionism of two-dimensional topological phases Neupert Titus, Chamon Claudio, Mudry Christopher, Thomale Ronny
    PHYSICAL REVIEW B 90, 205101 (2014).
    DOI: 10.1103/PhysRevB.90.205101
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2013

  • Direct Observation of Thermal Relaxation in Artificial Spin Ice Farhan A, Derlet PM, Kleibert A, Balan A, Chopdekar R, Wyss A, Perron J, Scholl A, Nolting F, Heyderman LJ
    PHYSICAL REVIEW LETTERS 111, 057204 (2013).
    DOI: 10.1103/PhysRevLett.111.057204
  • Dynamics of laser-induced spin reorientation in Co/SmFeO3 heterostructure Le Guyader L, Kleibert A, Nolting F, Joly L, Derlet P M, Pisarev R V, Kirilyuk A, Rasing Th, Kimel A V
    PHYSICAL REVIEW B 87, 054437 (2013).
    DOI: 10.1103/PhysRevB.87.054437
  • Early transition metal dopants in cuprous oxide: To spin or not to spin Soon Aloysius, Wallman Joel, Delley Bernard, Stampfl Catherine
    CURRENT APPLIED PHYSICS 13, 1707-1712 (2013).
    DOI: 10.1016/j.cap.2013.06.019
  • Electronic structure of predicted endohedral fullerenes An@C-40 (An = Th-Md) Ryzhkov Mikhail V, Delley Bernard
    Computational and Theoretical Chemistry 1013, 70-77 (2013).
    DOI: 10.1016/j.comptc.2013.03.009
  • Enhancing Hydrophilicity of Anatase TiO2 Surfaces by Deposition of Alkaline Earths: The Case of Ca Posternak Michel, Berner Simon, Baldereschi Alfonso, Delley Bernard
    JOURNAL OF PHYSICAL CHEMISTRY C 117, 26013-26020 (2013).
    DOI: 10.1021/jp406817k
  • Exploring hyper-cubic energy landscapes in thermally active finite artificial spin-ice systems Farhan A, Derlet P M, Kleibert A, Balan A, Chopdekar R V, Wyss M, Anghinolfi L, Nolting F, Heyderman L J
    NATURE PHYSICS 9, 375-382 (2013).
    DOI: 10.1038/NPHYS2613
  • Hydrogen adsorption capacity of adatoms on double carbon vacancies of graphene: A trend study from first principles Fair K M, Cui X Y, Li L, Shieh C C, Zheng R K, Liu Z W, Delley B, Ford M J, Ringer S P, Stampfl C
    PHYSICAL REVIEW B 87, 014102 (2013).
    DOI: 10.1103/PhysRevB.87.014102
  • Insights into congenital stationary night blindness based on the structure of G90D rhodopsin Singhal Ankita, Ostermaier Martin K, Vishnivetskiy Sergey A, Panneels Valerie, Homan Kristoff T, Tesmer John J G, Veprintsev Dmitry, Deupi Xavier, Gurevich Vsevolod V, Schertler Gebhard F X, Standfuss Joerg
    EMBO REPORTS 14, 520-526 (2013).
    DOI: 10.1038/embor.2013.44
  • Inverse Meyer-Neldel behavior for activated processes in model glasses Koziatek Pawel, Barrat Jean-Louis, Derlet Peter, Rodney David
    PHYSICAL REVIEW B 87, 224105 (2013).
    DOI: 10.1103/PhysRevB.87.224105
  • Linking high- and low-temperature plasticity in bulk metallic glasses: thermal activation, extreme value statistics and kinetic freezing Derlet P M, Maass R
    PHILOSOPHICAL MAGAZINE 93, 4232-4263 (2013).
    DOI: 10.1080/14786435.2013.826396
  • Measuring the quantum geometry of Bloch bands with current noise Neupert Titus, Chamon Claudio, Mudry Christopher
    PHYSICAL REVIEW B 87, 245103 (2013).
    DOI: 10.1103/PhysRevB.87.245103
  • Micro-plasticity and intermittent dislocation activity in a simplified micro-structural model Derlet P M, Maass R
    MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING 21, 035007 (2013).
    DOI: 10.1088/0965-0393/21/3/035007
  • Molecular adsorption on silicon (001): A systematic evaluation of size effects in slab and cluster models Tracey D F, Delley B, McKenzie D R, Warschkow O
    AIP Advances 3, 042117 (2013).
    DOI: 10.1063/1.4802837
  • Molecular signatures of G-protein-coupled receptors Venkatakrishnan A J, Deupi Xavier, Lebon Guillaume, Tate Christopher G, Schertler Gebhard F, Babu M Madan
    NATURE 494, 185-194 (2013).
    DOI: 10.1038/nature11896
  • Off-resonant magnetization dynamics phase-locked to an intense phase-stable terahertz transient Vicario C, Ruchert C, Ardana-Lamas F, Derlet P M, Tudu B, Luning J, Hauri C P
    NATURE PHOTONICS 7, 720-723 (2013).
    DOI: 10.1038/nphoton.2013.209
  • Relation between sequence and structure in membrane proteins Olivella Mireia, Gonzalez Angel, Pardo Leonardo, Deupi Xavier
    BIOINFORMATICS 29, 1589-1592 (2013).
    DOI: 10.1093/bioinformatics/btt249
  • Resonant inelastic x-ray scattering at the Fe L-3 edge of the one-dimensional chalcogenide BaFe2Se3 Monney C, Uldry A, Zhou K J, Krzton-Maziopa A, Pomjakushina E, Strocov V N, Delley B, Schmitt T
    PHYSICAL REVIEW B 88, 165103 (2013).
    DOI: 10.1103/PhysRevB.88.165103
  • Small-scale plasticity: Insights into dislocation avalanche velocities Maass Robert, Derlet Peter M, Greer Julia R
    SCRIPTA MATERIALIA 69, 586-589 (2013).
    DOI: 10.1016/j.scriptamat.2013.07.005
  • Source of magnetic anisotropy in quasi-two-dimensional XY {Cu-4(tetrenH(5))[W(CN)(8)](4).7.2H(2)O)}(n) bilayer molecular magnet Zaharko O, Pregelj M, Zorko A, Podgajny R, Gukasov A, van Tol J, Klokishner SI, Ostrovsky S, Delley B
    PHYSICAL REVIEW B 87, 024406 (2013).
    DOI: 10.1103/PhysRevB.87.024406
  • Structure of beta-Adrenergic Receptors Brueckner Florian, Piscitelli Chayne L, Tsai Ching-Ju, Standfuss Joerg, Deupi Xavier, Schertler Gebhard F X
    G PROTEIN COUPLED RECEPTORS: STRUCTURE 520, 117-151 (2013).
    DOI: 10.1016/B978-0-12-391861-1.00006-X
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