Advances and applications in the FIREBALL ab initio tight‐binding molecular‐dynamics formalism JP Lewis, P Jelínek, J Ortega, AA Demkov, DG Trabada, B Haycock, ...
physica status solidi (b) 248 (9), 1989-2007, 2011
247 2011 Nonadiabatic Ensemble Simulations of cis- Stilbene and cis -Azobenzene Photoisomerization AJ Neukirch, LC Shamberger, E Abad, BJ Haycock, H Wang, J Ortega, ...
Journal of Chemical Theory and Computation 10 (1), 14-23, 2014
65 2014 The effect of electronic structure changes in NaInO 2 and NaIn 0.9 Fe 0.1 O 2 on the photoreduction of methylene blue JW Lekse, BJ Haycock, JP Lewis, DR Kauffman, C Matranga
Journal of Materials Chemistry A 2 (24), 9331-9337, 2014
20 2014 High-throughput calculations of alloyed delafossite materials: Application to CuGa1− xFexO2 BJ Haycock, MK Rice, JP Lewis
Computational materials science 86, 155-164, 2014
15 2014 Optical absorption and disorder in delafossites TR Senty, B Haycock, J Lekse, C Matranga, H Wang, G Panapitiya, ...
Applied Physics Letters 111 (1), 2017
14 2017 High‐throughput evaluation in nitrogen doping of amorphous titanium dioxide BJ Haycock, G Lander, MK Rice, K Prasai, B Prasai, DA Drabold, ...
physica status solidi (b) 251 (6), 1225-1230, 2014
4 2014 Metallization of the potassium overlayer on the β-SiC (100) c (4× 2) surface BJ Haycock, DG Trabada, J Ortega, JD O’Mahony, JP Lewis
Journal of Physics: Condensed Matter 24 (48), 485001, 2012
1 2012 Failure of potassium dimer formation on the β‐SiC(100)‐c (4 × 2) surface B Haycock, J Ortega, JP Lewis
physica status solidi (b) 248 (9), 2072-2075, 2011
1 2011 Calculation of the electronic and optical properties of nanoscale systems B Haycock
Technological University Dublin, 2011
1 2011 Optical Absorption and Carrier Dynamics of Semiconductor Delafossites. R Sooriyagoda, TR Senty, B Haycock, J Lekse, C Matranga, H Wang, ...
Bulletin of the American Physical Society 61, 2016
2016 Optoelectronic properties of Fe impurities in delafossite oxide materials. A high-throughput investigation B Haycock, JP Lewis
APS March Meeting Abstracts 2014, G27. 012, 2014
2014 The effect of electronic structure changes in NaInO₂ and NaIn₀. ₉Fe₀. ₁O₂ on the photoreduction of methylene blue JW Lekse, BJ Haycock, JP Lewis, DR Kauffman, C Matranga
2014 Ensembles of light-induced conformational transformations between cis-stilbene (CS) and trans-stilbene (TS) from non-adiabatic molecular-dynamics simulations JP Lewis, L Shamberger, H Wang, B Haycock
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 245, 2013
2013 Strain Induced Photoabsorption of CuGa Fe O MK Underwood, B Haycock, J Lewis, J Lekse, C Matranga
Bulletin of the American Physical Society 58, 2013
2013 Strain Induced Photoabsorption of CuGa1-x Fex O2 M Underwood, B Haycock, J Lewis, J Lekse, C Matranga
APS March Meeting Abstracts 2013, M5. 009, 2013
2013 Electronic Structure of N-doped TiO J Lewis, B Haycock, G Lander, B Prasai, D Drabold
APS March Meeting Abstracts 2013, U23. 012, 2013
2013 High-Throughput Investigation of Delafossite materials B Haycock, M Kylee Underwood, J Lekse, C Matranga, JP Lewis
APS March Meeting Abstracts 2013, Y25. 004, 2013
2013 Potassium-induced semiconducting to metallic transition on the β-SiC (100) c (4x2) surface B Haycock
APS March Meeting Abstracts 2011, T12. 002, 2011
2011 Atomic Structure of the Si (111)-4x1-In System B Haycock, JD O'Mahony
APS March Meeting Abstracts, W30. 008, 2008
2008