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M

Marco De La Pierre

University of Western Australia

25H指数
82论文数
4.6K被引数
收录论文 24
发表时间
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Toward an extreme-scale electronic structure system走向极端规模的电子结构系统
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-07-27
err17
PREAI
errVallejo, Jorge L. Galvez; Snowdon, Calum; Stocks, Ryan; Kazemian, Fazeleh; Yu, Fiona Chuo Yan; Seidl, Christopher; Seeger, Zoe; Alkan, Melisa; Poole, David; Westheimer, Bryce M.; Basha, Mehaboob; De La Pierre, Marco; Rendell, Alistair; Izgorodina, Ekaterina I.; Gordon, Mark S.; Barca, Giuseppe M. J.
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Determining the Complete Stability of Calcite Kink Sites: Real vs Ideal
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2023-07-05
err4
PREAI
errArmstrong, Blake I.; Silvestri, Alessandro; De La Pierre, Marco; Raiteri, Paolo; Gale, Julian D.
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eDNAFlow, an automated, reproducible and scalable workflow for analysis of environmental DNA sequences exploiting Nextflow and Singularity
errMOLECULAR ECOLOGY RESOURCES
IF5.5
err2021-03-09
err79
errOAAI
errMousavi-Derazmahalleh, Mahsa; Stott, Audrey; Lines, Rose; Peverley, Georgia; Nester, Georgia; Simpson, Tiffany; Zawierta, Michal; De la Pierre, Marco; Bunce, Michael; Christophersen, Claus T.
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The CRYSTAL code, 1976-2020 and beyond, a long story
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-05-27
err158
errOAAI
errDovesi, Roberto; Pascale, Fabien; Civalleri, Bartolomeo; Doll, Klaus; Harrison, Nicholas M.; Bush, Ian; D'Arco, Philippe; Noel, Yves; Rerat, Michel; Carbonniere, Philippe; Causa, Mauro; Salustro, Simone; Lacivita, Valentina; Kirtman, Bernard; Ferrari, Anna Maria; Gentile, Francesco Silvio; Baima, Jacopo; Ferrero, Mauro; Demichelis, Raffaella; De La Pierre, Marco
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Promoting transparency and reproducibility in enhanced molecular simulations提高增强分子模拟的透明度和再现性
errNATURE METHODS
IF32.1
err2019-07-30
err715
errOAAI
errBonomi, Massimiliano; Bussi, Giovanni; Camilloni, Carlo; Tribello, Gareth A.; Banas, Pavel; Barducci, Alessandro; Bernetti, Mattia; Bolhuis, Peter G.; Bottaro, Sandro; Branduardi, Davide; Capelli, Riccardo; Carloni, Paolo; Ceriotti, Michele; Cesari, Andrea; Chen, Haochuan; Chen, Wei; Colizzi, Francesco; De, Sandip; De La Pierre, Marco; Donadio, Davide; Drobot, Viktor; Ensing, Bernd; Ferguson, Andrew L.; Filizola, Marta; Fraser, James S.; Fu, Haohao; Gasparotto, Piero; Gervasio, Francesco Luigi; Giberti, Federico; Gil-Ley, Alejandro; Giorgino, Toni; Heller, Gabriella T.; Hocky, Glen M.; Iannuzzi, Marcella; Invernizzi, Michele; Jelfs, Kim E.; Jussupow, Alexander; Kirilin, Evgeny; Laio, Alessandro; Limongelli, Vittorio; Lindorff-Larsen, Kresten; Lohr, Thomas; Marinelli, Fabrizio; Martin-Samos, Layla; Masetti, Matteo; Meyer, Ralf; Michaelides, Angelos; Molteni, Carla; Morishita, Tetsuya; Nava, Marco; Paissoni, Cristina; Papaleo, Elena; Parrinello, Michele; Pfaendtner, Jim; Piaggi, Pablo; Piccini, GiovanniMaria; Pietropaolo, Adriana; Pietrucci, Fabio; Pipolo, Silvio; Provasi, Davide; Quigley, David; Raiteri, Paolo; Raniolo, Stefano; Rydzewski, Jakub; Salvalaglio, Matteo; Sosso, Gabriele Cesare; Spiwok, Vojtech; Sponer, Jiri; Swenson, David W. H.; Tiwary, Pratyush; Valsson, Omar; Vendruscolo, Michele; Voth, Gregory A.; White, Andrew
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Simulation of Crystallization of Biominerals
errANNUAL REVIEW OF MATERIALS RESEARCH, VOL 48
IF0
err2018-07-01
err23
errOAAI
errDemichelis, Raffaella; Schuitemaker, Alicia; Garcia, Natalya A.; Koziara, Katarzyna B.; De La Pierre, Marco; Raiteri, Paolo; Gale, Julian D.
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Experimental and Theoretical Infrared Signatures of REMO3 (RE = La, Pr, Nd, Sm, and M = Co, Fe) Perovskites
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2018-04-18
err13
errOAAI
errHaye, Emile; Andre, Erwan; Capon, Fabien; Barrat, Silvere; De la Pierre, Marco; Dovesi, Roberto; Carteret, Cedric
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Structure, Stability, and (Non)Reactivity of the Low-Index Surfaces of Crystalline B2O3-I
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2017-05-11
err14
PREAI
errAssaf, Niveen W.; De La Pierre, Marco; Altarawneh, Mohammednoor K.; Radny, Marian W.; Jiang, Zhong-Tao; Dlugogorski, Bogdan Z.
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Uncovering the Atomistic Mechanism for Calcite Step Growth
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2017-04-13
err50
errOAAI
errDe La Pierre, Marco; Raiteri, Paolo; Stack, Andrew G.; Gale, Julian D.
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Structure and Dynamics of Water at Step Edges on the Calcite {10(1)over-bar4} Surface
errCRYSTAL GROWTH & DESIGN
IF3.4
err2016-08-25
err70
errOAAI
errDe La Pierre, Marco; Raiteri, Paolo; Gale, Julian D.
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Structural and elastic anisotropy of crystals at high pressures and temperatures from quantum mechanical methods: The case of Mg2SiO4 forsterite
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2015-05-28
err45
errOAAI
errErba, A.; Maul, J.; De La Pierre, M.; Dovesi, R.
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First-Principle Modelling of Forsterite Surface Properties: Accuracy of Methods and Basis Sets
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2015-05-14
err14
errOAAI
errDemichelis, Raffaella; Bruno, Marco; Massaro, Francesco R.; Prencipe, Mauro; De La Pierre, Marco; Nestola, Fabrizio
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Probing the Multiple Structures of Vaterite through Combined Computational and Experimental Raman Spectroscopy
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2014-11-17
err14
errOAAI
errDe La Pierre, Marco; Demichelis, Raffaella; Wehrmeister, Ursula; Jacob, Dorrit E.; Raiteri, Paolo; Gale, Julian D.; Orlando, Roberto
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On the full exploitation of symmetry in periodic (as well as molecular) self-consistent-field ab initio calculations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2014-09-11
err22
errOAAI
errOrlando, Roberto; De La Pierre, Marco; Zicovich-Wilson, Claudio M.; Erba, Alessandro; Dovesi, Roberto
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Exploitation of symmetry in periodic Self-Consistent-Field ab initio calculations: application to large three-dimensional compounds
errSCIENCE CHINA-CHEMISTRY
IF9.7
err2014-08-20
err5
errOAAI
errDe La Pierre, Marco; Orlando, Roberto; Ferrabone, Matteo; Zicovich-Wilson, Claudio M.; Dovesi, Roberto
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The Raman spectrum of CaCO3 polymorphs calcite and aragonite: A combined experimental and computational study
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2014-04-25
err152
errOAAI
errDe La Pierre, Marco; Carteret, Cedric; Maschio, Lorenzo; Andre, Erwan; Orlando, Roberto; Dovesi, Roberto
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Ab Initio Calculations of the Main Crystal Surfaces of Forsterite (Mg2SiO4): A Preliminary Study to Understand the Nature of Geochemical Processes at the Olivine Interface
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2014-01-22
err54
PREAI
errBruno, M.; Massaro, F. R.; Prencipe, M.; Demichelis, R.; De La Pierre, M.; Nestola, F.
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Photoelectrochemical properties of the CT1 dye: A DFT studyCT1染料的光电化学性质: DFT研究
errJOURNAL OF MOLECULAR STRUCTURE
IF4.7
err2013-08-01
err20
PREAI
errCamino, Bruno; De La Pierre, Marco; Ferrari, Anna Maria
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Use of ab initio methods for the interpretation of the experimental IR reflectance spectra of crystalline compounds
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2013-04-04
err11
errOAAI
errDe la Pierre, Marco; Carteret, Cedric; Orlando, Roberto; Dovesi, Roberto
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Ab Initio Periodic Simulation of the Spectroscopic and Optical Properties of Novel Porous Graphene Phases
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2013-01-23
err36
errOAAI
errDe La Pierre, Marco; Karamanis, Panaghiotis; Baima, Jacopo; Orlando, Roberto; Pouchan, Claude; Dovesi, Roberto
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研究方向

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