Publications

N. Keilbart, Y. Okada, A. Feehan, S. Higai, and I. Dabo

Quantum-continuum simulation of the electrochemical response of pseudocapacitor electrodes under realistic conditions

Physical Review B 95 (2017)

X. Ji, N. Poilvert, W. Liu, Y. Xiong, H. Y. Cheng, J. V. Badding, I. Dabo, and V. Gopalan

A silicon microwire under a three-dimensional anisotropic tensile stress

Applied Physics Letters 110 (2017)

D. Sun, Y. Xiong, Y. Sun, I. Dabo, and R. E. Schaak

Solution-Synthesized In₄SnSe₄ Semiconductor Microwires with a Direct Band Gap

Chemistry of Materials 29 1095-1098 (2017)

S. E. Weitzner, and I. Dabo

Quantum–continuum simulation of underpotential deposition at electrified metal–solution interfaces

npj Computational Materials 3 (2017)

X. Ji, S. Lei, S. Yu, H. Y. Cheng, W. Liu, N. Poilvert, Y. Xiong, I. Dabo, S. E. Mohney, J. V. Badding, and V. Gopalan

Single-Crystal Silicon Optical Fiber by Direct Laser Crystallization

ACS Photonics 4 85-92 (2016)

K. Sasaki, K. Toshiyuki, K. Ideta, H. Miki, T. Hirajima, J. Miyawaki, M. Murayama, and I. Dabo

Removal mechanism of high concentration borate by co-precipitation with hydroxyapatite

Journal of Environmental Chemical Engineering 4 1092-1101 (2016)

N. L. Nguyen, G. Borghi, A. Ferretti, I. Dabo, and N. Marzari

First-Principles Photoemission Spectroscopy and Orbital Tomography in Molecules from Koopmans-Compliant Functionals

Physical Review Letters 114 (2015)

N. Poilvert, G. Borghi, N. L. Nguyen, N. D. Keilbart, K. Wang, and I. Dabo

Koopmans-Compliant Self-Interaction Corrections

Advances In Atomic, Molecular, and Optical Physics 105-127 (2015)

G. Borghi, A. Ferretti, N. L. Nguyen, I. Dabo, and N. Marzari

Koopmans-compliant functionals and their performance against reference molecular data

Physical Review B 90 (2014)

A. Ferretti, I. Dabo, M. Cococcioni, and N. Marzari

Bridging density-functional and many-body perturbation theory: Orbital-density dependence in electronic-structure functionals

Physical Review B 89 (2014)