| Accelerated discovery of efficient solar cell materials using quantum and machine-learning methods K Choudhary, M Bercx, J Jiang, R Pachter, D Lamoen, F Tavazza Chemistry of materials 31 (15), 5900-5908, 2019 | 110 | 2019 |
| Carbon Incorporation and Anion Dynamics as Synergistic Drivers for Ultrafast Diffusion in Superionic LiCB11H12 and NaCB11H12 M Dimitrievska, P Shea, KE Kweon, M Bercx, JB Varley, WS Tang, ... Advanced energy materials 8 (15), 1703422, 2018 | 77 | 2018 |
| First-principles analysis of the spectroscopic limited maximum efficiency of photovoltaic absorber layers for CuAu-like chalcogenides and silicon M Bercx, N Sarmadian, R Saniz, B Partoens, D Lamoen Physical Chemistry Chemical Physics 18 (30), 20542-20549, 2016 | 58 | 2016 |
| Structure and vacancy distribution in copper telluride nanoparticles influence plasmonic activity in the near-infrared T Willhammar, K Sentosun, S Mourdikoudis, B Goris, M Kurttepeli, ... Nature communications 8 (1), 14925, 2017 | 46 | 2017 |
| Understanding Superionic Conductivity in Lithium and Sodium Salts of Weakly Coordinating Closo-Hexahalocarbaborate Anions M Jørgensen, PT Shea, AW Tomich, JB Varley, M Bercx, S Lovera, ... Chemistry of Materials 32 (4), 1475-1487, 2020 | 44 | 2020 |
| Virtual computational chemistry teaching laboratories—hands-on at a distance R Kobayashi, TPM Goumans, NO Carstensen, TM Soini, N Marzari, ... Journal of Chemical Education 98 (10), 3163-3171, 2021 | 24 | 2021 |
| Exceeding the Shockley–Queisser limit within the detailed balance framework M Bercx, R Saniz, B Partoens, D Lamoen Many-Body Approaches at Different Scales: A Tribute to Norman H. March on …, 2018 | 22 | 2018 |
| Common workflows for computing material properties using different quantum engines SP Huber, E Bosoni, M Bercx, J Bröder, A Degomme, V Dikan, K Eimre, ... npj Computational Materials 7 (1), 136, 2021 | 20 | 2021 |
| An in-depth study of Sn substitution in Li-rich/Mn-rich NMC as a cathode material for Li-ion batteries A Paulus, M Hendrickx, M Bercx, OM Karakulina, MA Kirsanova, ... Dalton transactions 49 (30), 10486-10497, 2020 | 18 | 2020 |
| Interstitial defects in the van der Waals gap of Bi2Se3 C Callaert, M Bercx, D Lamoen, J Hadermann Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2019 | 17 | 2019 |
| How to verify the precision of density-functional-theory implementations via reproducible and universal workflows E Bosoni, L Beal, M Bercx, P Blaha, S Blügel, J Bröder, M Callsen, ... Nature Reviews Physics 6 (1), 45-58, 2024 | 9 | 2024 |
| Quantitative modeling of secondary electron emission from slow-ion bombardment on semiconductors M Bercx, B Partoens, D Lamoen Physical Review B 99 (8), 085413, 2019 | 9 | 2019 |
| First-principles investigation of the stability of the oxygen framework of Li-rich battery cathodes M Bercx, L Slap, B Partoens, D Lamoen MRS Advances 4 (14), 813-820, 2019 | 6 | 2019 |
| Correction: First-principles analysis of the spectroscopic limited maximum efficiency of photovoltaic absorber layers for CuAu-like chalcogenides and silicon M Bercx, N Sarmadian, R Saniz, B Partoens, D Lamoen Physical Chemistry Chemical Physics 19 (8), 6292-6292, 2017 | 4 | 2017 |
| The rule of four: anomalous stoichiometries of inorganic compounds E Gazzarrini, R Cersonsky, M Bercx, S Adorf, N Marzari | 2 | 2023 |
| The rule of four: anomalous distributions in the stoichiometries of inorganic compounds E Gazzarrini, RK Cersonsky, M Bercx, CS Adorf, N Marzari npj Computational Materials 10 (1), 73, 2024 | | 2024 |
| Wannier-driven search for novel BCS superconductors M Bercx, S Poncé, J Qiao, Y Zhang, G Pizzi, N Marzari Bulletin of the American Physical Society, 2024 | | 2024 |
| Plasmonic effects in the neutralization of slow ions at a metallic surface M Bercx, S Mayda, D Depla, B Partoens, D Lamoen Contributions to Plasma Physics 64 (1), e202300054, 2024 | | 2024 |
| An all-chemistries comprehensive verification of all-electron and pseudopotential DFT codes via universal common workflows M Bercx, E Bosoni, P Blaha, J Bröder, M Callsen, S Cottenier, ... APS March Meeting Abstracts 2023, G28. 004, 2023 | | 2023 |
| Virtual teaching laboratories–hands-on at a distance R Kobayashi, TPM Gouman, NO Carstensen, TM Soini, N Marzari, ... | | 2021 |
