| FireWorks: a dynamic workflow system designed for high‐throughput applications A Jain, SP Ong, W Chen, B Medasani, X Qu, M Kocher, M Brafman, ... Concurrency and Computation: Practice and Experience 27 (17), 5037-5059, 2015 | 431 | 2015 |
| Theoretical study of the surface energy, stress, and lattice contraction of silver nanoparticles B Medasani, YH Park, I Vasiliev Physical Review B 75 (23), 235436, 2007 | 179 | 2007 |
| PyCDT: A Python toolkit for modeling point defects in semiconductors and insulators D Broberg, B Medasani, NER Zimmermann, G Yu, A Canning, ... Computer Physics Communications 226, 165-179, 2018 | 139 | 2018 |
| Vacancy formation energies in metals: A comparison of MetaGGA with LDA and GGA exchange–correlation functionals B Medasani, M Haranczyk, A Canning, M Asta Computational Materials Science 101, 96-107, 2015 | 75 | 2015 |
| Computational study of the surface properties of aluminum nanoparticles B Medasani, I Vasiliev Surface science 603 (13), 2042-2046, 2009 | 65 | 2009 |
| Predicting defect behavior in B2 intermetallics by merging ab initio modeling and machine learning B Medasani, A Gamst, H Ding, W Chen, KA Persson, M Asta, A Canning, ... npj Computational Materials 2 (1), 1, 2016 | 63 | 2016 |
| Early stage structural development of prototypical zeolitic imidazolate framework (ZIF) in solution MW Terban, D Banerjee, S Ghose, B Medasani, A Shukla, BA Legg, ... Nanoscale 10 (9), 4291-4300, 2018 | 50 | 2018 |
| In Silico Design of Three-Dimensional Porous Covalent Organic Frameworks via Known Synthesis Routes and Commercially Available Species RL Martin, CM Simon, B Medasani, DK Britt, B Smit, M Haranczyk The Journal of Physical Chemistry C 118 (41), 23790-23802, 2014 | 45 | 2014 |
| Ionic asymmetry and solvent excluded volume effects on spherical electric double layers: A density functional approach B Medasani, Z Ovanesyan, DG Thomas, ML Sushko, M Marucho The Journal of chemical physics 140 (20), 204510, 2014 | 36 | 2014 |
| Excluded volume and ion-ion correlation effects on the ionic atmosphere around B-DNA: Theory, simulations, and experiments Z Ovanesyan, B Medasani, MO Fenley, GI Guerrero-García, ... The Journal of chemical physics 141 (22), 12B642_1, 2014 | 31 | 2014 |
| Insight into fluorocarbon adsorption in metal-organic frameworks via experiments and molecular simulations D Barpaga, VT Nguyen, BK Medasani, S Chatterjee, BP McGrail, ... Scientific reports 9 (1), 10289, 2019 | 30 | 2019 |
| Vacancies and Vacancy Mediated Self Diffusion in Cr2O3: A First Principles Study BK Medasani, ML Sushko, KM Rosso, DK Schreiber, SM Bruemmer The Journal of Physical Chemistry C 121 (3), 1817-1831, 2017 | 28 | 2017 |
| PyDII: a python framework for computing equilibrium intrinsic point defect concentrations and extrinsic solute site preferences in intermetallic compounds H Ding, B Medasani, W Chen, KA Persson, M Haranczyk, M Asta Computer Physics Communications 193, 118-123, 2015 | 25 | 2015 |
| SIMSOPT: A flexible framework for stellarator optimization M Landreman, B Medasani, F Wechsung, A Giuliani, R Jorge, C Zhu Journal of Open Source Software 6 (65), 3525, 2021 | 24 | 2021 |
| First-Principles Investigation of Native Interstitial Diffusion in Cr2O3 B Medasani, ML Sushko, KM Rosso, DK Schreiber, SM Bruemmer The Journal of Physical Chemistry C 122 (24), 12984-12993, 2018 | 22 | 2018 |
| Temperature Dependence of Self-Diffusion in Cr2O3 from First Principles BK Medasani, ML Sushko, KM Rosso, DK Schreiber, SM Bruemmer The Journal of Physical Chemistry C 123 (36), 22139-22150, 2019 | 13 | 2019 |
| Defect and Dopant Mediated Thermoelectric Power Factor Tuning in β‐Zn4Sb3 V Karthikeyan, T Li, B Medasani, C Luo, D Shi, JCK Wong, KH Lam, ... Advanced Electronic Materials 6 (4), 1901284, 2020 | 11 | 2020 |
| Stellarator optimization for good magnetic surfaces at the same time as quasisymmetry M Landreman, B Medasani, C Zhu Physics of Plasmas 28 (9), 092505, 2021 | 10 | 2021 |
| On the fast kinetics of B2–L21 ordering in Ni-Co-Mn-In metamagnetic shape memory alloys Y Wang, D Salas, TC Duong, B Medasani, A Talapatra, Y Ren, ... Journal of Alloys and Compounds 781, 479-489, 2019 | 8 | 2019 |
| First‐Principles Characterization of Equilibrium Vacancy Concentration in Metamagnetic Shape Memory Alloys: An Example of Ni2MnGa Y Wang, D Salas, B Medasani, P Entel, I Karaman, R Arróyave, TC Duong physica status solidi (b) 255 (2), 1700523, 2018 | 6 | 2018 |
M. AstaUniversity of California, Sandia National Laboratories, Northwestern UniversityVerified email at berkeley.edu
