| LOBSTER: A tool to extract chemical bonding from plane‐wave based DFT S Maintz, VL Deringer, AL Tchougréeff, R Dronskowski Journal of computational chemistry 37 (11), 1030-1035, 2016 | 2580 | 2016 |
| Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets VL Deringer, AL Tchougréeff, R Dronskowski The Journal of Physical Chemistry A 115 (21), 5461-5466, 2011 | 2481 | 2011 |
| Analytic projection from plane‐wave and PAW wavefunctions and application to chemical‐bonding analysis in solids S Maintz, VL Deringer, AL Tchougréeff, R Dronskowski Journal of computational chemistry 34 (29), 2557-2567, 2013 | 1503 | 2013 |
| LOBSTER: Local orbital projections, atomic charges, and chemical‐bonding analysis from projector‐augmented‐wave‐based density‐functional theory R Nelson, C Ertural, J George, VL Deringer, G Hautier, R Dronskowski Journal of Computational Chemistry 41 (21), 1931-1940, 2020 | 875 | 2020 |
| Gaussian Process Regression for Materials and Molecules VL Deringer, AP Bartók, N Bernstein, DM Wilkins, M Ceriotti, G Csányi Chemical Reviews 121 (16), 10073-10141, 2021 | 872 | 2021 |
| Machine Learning Interatomic Potentials as Emerging Tools for Materials Science VL Deringer, MA Caro, G Csányi Advanced Materials, 1902765, 2019 | 762 | 2019 |
| Machine learning based interatomic potential for amorphous carbon VL Deringer, G Csányi Physical Review B 95, 094203, 2017 | 683 | 2017 |
| A stable compound of helium and sodium at high pressure X Dong, AR Oganov, AF Goncharov, E Stavrou, S Lobanov, G Saleh, ... Nature Chemistry 9 (5), 440-445, 2017 | 373 | 2017 |
| Incipient Metals: Functional Materials with a Unique Bonding Mechanism M Wuttig, VL Deringer, X Gonze, C Bichara, JY Raty Advanced Materials 30 (51), 1803777, 2018 | 367 | 2018 |
| Origins of structural and electronic transitions in disordered silicon VL Deringer, N Bernstein, G Csányi, C Ben Mahmoud, M Ceriotti, ... Nature 589 (7840), 59-64, 2021 | 299 | 2021 |
| A Quantum‐Mechanical Map for Bonding and Properties in Solids JY Raty, M Schumacher, P Golub, VL Deringer, C Gatti, M Wuttig Advanced Materials 31 (3), 1806280, 2019 | 294 | 2019 |
| Realistic atomistic structure of amorphous silicon from machine-learning-driven molecular dynamics VL Deringer, N Bernstein, AP Bartók, MJ Cliffe, RN Kerber, LE Marbella, ... The journal of physical chemistry letters 9 (11), 2879-2885, 2018 | 270 | 2018 |
| An accurate and transferable machine learning potential for carbon P Rowe, VL Deringer, P Gasparotto, G Csányi, A Michaelides The Journal of Chemical Physics 153 (3), 034702, 2020 | 248 | 2020 |
| Data-driven learning of total and local energies in elemental boron VL Deringer, CJ Pickard, G Csányi Physical Review Letters 120 (15), 156001, 2018 | 221 | 2018 |
| Growth Mechanism and Origin of High Content in Tetrahedral Amorphous Carbon MA Caro, VL Deringer, J Koskinen, T Laurila, G Csányi Physical Review Letters 120 (16), 166101, 2018 | 183 | 2018 |
| De novo exploration and self-guided learning of potential-energy surfaces N Bernstein, G Csányi, VL Deringer npj Computational Materials 5, 99, 2019 | 176 | 2019 |
| A foundation model for atomistic materials chemistry I Batatia, P Benner, Y Chiang, AM Elena, DP Kovács, J Riebesell, ... arXiv preprint arXiv:2401.00096, 2023 | 161 | 2023 |
| Modeling the Phase-Change Memory Material, Ge2Sb2Te5, with a Machine-Learned Interatomic Potential FC Mocanu, K Konstantinou, TH Lee, N Bernstein, VL Deringer, G Csányi, ... The Journal of Physical Chemistry B 122 (38), 8998-9006, 2018 | 160 | 2018 |
| Bonding Nature of Local Structural Motifs in Amorphous GeTe VL Deringer, W Zhang, M Lumeij, S Maintz, M Wuttig, R Mazzarello, ... Angewandte Chemie International Edition 53 (40), 10817-10820, 2014 | 159 | 2014 |
| A general-purpose machine-learning force field for bulk and nanostructured phosphorus VL Deringer, MA Caro, G Csányi Nature communications 11 (1), 5461, 2020 | 140 | 2020 |
Richard DronskowskiDistinguished Professor, Chair of Solid-State and Quantum Chemistry, RWTH Aachen University確認したメール アドレス: HAL9000.ac.rwth-aachen.de