Year |
Citation |
Score |
2019 |
Ratcliff LE, Thornton WS, Mayagoitia ÁV, Romero NA. Combining Pseudopotential and All Electron Density Functional Theory for the Efficient Calculation of Core Spectra Using a Multiresolution Approach. The Journal of Physical Chemistry. A. PMID 31063395 DOI: 10.1021/acs.jpca.8b11310 |
0.335 |
|
2018 |
Kim J, Baczewski A, Beaudet T, Benali A, Bennett C, Berrill M, Blunt N, Borda EJL, Casula M, Ceperley D, Chiesa S, Clark BK, Clay R, Delaney K, Dewing M, ... ... Romero NA, et al. QMCPACK : An open source ab initio Quantum Monte Carlo package for the electronic structure of atoms, molecules, and solids. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 29582782 DOI: 10.1088/1361-648X/Aab9C3 |
0.34 |
|
2015 |
Romero NA, Nakano A, Riley KM, Shimojo F, Kalia RK, Vashishta P, Messina PC. Quantum Molecular Dynamics in the Post-Petaflops Era Computer. 48: 33-41. DOI: 10.1109/Mc.2015.337 |
0.322 |
|
2015 |
Romero NA, Glinsvad C, Larsen AH, Enkovaara J, Shende S, Morozov VA, Mortensen JJ. Design and performance characterization of electronic structure calculations on massively parallel supercomputers: A case study of GPAW on the Blue Gene/P architecture Concurrency Computation. 27: 69-93. DOI: 10.1002/Cpe.3199 |
0.394 |
|
2014 |
Benali A, Shulenburger L, Romero NA, Kim J, von Lilienfeld OA. Application of Diffusion Monte Carlo to Materials Dominated by van der Waals Interactions. Journal of Chemical Theory and Computation. 10: 3417-22. PMID 26588310 DOI: 10.1021/Ct5003225 |
0.639 |
|
2013 |
Li L, Larsen AH, Romero NA, Morozov VA, Glinsvad C, Abild-Pedersen F, Greeley J, Jacobsen KW, Nørskov JK. Investigation of Catalytic Finite-Size-Effects of Platinum Metal Clusters. The Journal of Physical Chemistry Letters. 4: 222-6. PMID 26291235 DOI: 10.1021/Jz3018286 |
0.529 |
|
2013 |
Li L, Larsen AH, Romero NA, Morozov VA, Glinsvad C, Abild-Pedersen F, Greeley J, Jacobsen KW, Nørskov JK. Investigation of catalytic finite-size-effects of platinum metal clusters Journal of Physical Chemistry Letters. 4: 222-226. DOI: 10.1021/jz3018286 |
0.449 |
|
2011 |
Enkovaara J, Romero NA, Shende S, Mortensen JJ. GPAW - massively parallel electronic structure calculations with Python-based software Procedia Computer Science. 4: 17-25. DOI: 10.1016/j.procs.2011.04.003 |
0.371 |
|
2011 |
Kleis J, Greeley J, Romero NA, Morozov VA, Falsig H, Larsen AH, Lu J, Mortensen JJ, Du?ak M, Thygesen KS, Nørskov JK, Jacobsen KW. Finite size effects in chemical bonding: From small clusters to solids Catalysis Letters. 141: 1067-1071. DOI: 10.1007/S10562-011-0632-0 |
0.556 |
|
2010 |
Enkovaara J, Rostgaard C, Mortensen JJ, Chen J, Du?ak M, Ferrighi L, Gavnholt J, Glinsvad C, Haikola V, Hansen HA, Kristoffersen HH, Kuisma M, Larsen AH, Lehtovaara L, Ljungberg M, ... ... Romero NA, et al. Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 22: 253202. PMID 21393795 DOI: 10.1088/0953-8984/22/25/253202 |
0.415 |
|
2004 |
Romero NA, Kim J, Martin RM. Electron-phonon interactions inC28-derived molecular solids Physical Review B. 70. DOI: 10.1103/Physrevb.70.140504 |
0.494 |
|
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