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Adrienn RuzsinszkyAssociate Professor of PhysicsPh.D., Budapest University of Technology and EconomicsSERC, Room 708
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Research Interests
Research Interests:
Method development:
Random-Phase Approximation (RPA), Green’s function (GW), development of nonlocal kernels for RPA/GW and time-dependent density functional theory (TDDFT), development of polarizability models for van der Waals interactions, development of meta-generalized gradient approximation (meta-GGA) functionals for ground-state energy
Applications:
layered materials for solar cell applications and water splitting, weak interactions in layered materials, weak interactions in organic semiconductors and molecules
- Density Functional Theory
- Many-Body Electron Theory
- Computational Materials Science
- Computational Chemistry
Method development:
Random-Phase Approximation (RPA), Green’s function (GW), development of nonlocal kernels for RPA/GW and time-dependent density functional theory (TDDFT), development of polarizability models for van der Waals interactions, development of meta-generalized gradient approximation (meta-GGA) functionals for ground-state energy
Applications:
layered materials for solar cell applications and water splitting, weak interactions in layered materials, weak interactions in organic semiconductors and molecules
Key Publications
A. Ruzsinszky, I.Y. Zhang, and M. Scheffler, Insight into Bond Breaking Reactions from Many-Body Approximations, in preparation.
P.D. Mezei, G.I. Csonka, A. Ruzsinszky and J. Sun, Accurate, Precise and Efficient Theoretical Methods to Calculate Anion-π Interaction Energies in Model Structures, submitted to Journal of Chemical Theory and Computation.
B. Xiao, J. Sun, A. Ruzsinszky, J.P. Perdew, Testing the Jacob's ladder of density functionals for electronic structure and magnetism of rutile VO2 Physical Review B 90, 085134 (2014).
M.R. Pederson, A Ruzsinszky, J.P. Perdew, Communication: Self-interaction correction with unitary invariance in density functional theory, The Journal of Chemical Physics 140, 121103 (2014).
J. Sun, B. Xiao, Y. Fang, R. Haunschild, P. Hao, A. Ruzsinszky, G.I. Csonka, G.E. Scuseria, and J.P. Perdew, Density functionals that recognize covalent, metallic and weak bonds, Physical Review Letters 111 , 106401 (2013).
A. Ruzsinszky, J.P. Perdew,J. Tao, G.I. Csonka and J.M. Pitarke, van der Waals Coefficients for Nanoclusters:Fullerenes Defy Conventional Wisdom, Physical Review Letters 109, 233203, (2012).
J. Tao, J. P. Perdew and A. Ruzsinszky, Accurate van der Waals Coefficients from Density Functional Theory, Proceedings of the National Academy of Sciences 109, 18 (2012).
A. Ruzsinszky, J.P. Perdew, G.I. Csonka, A Simple but Fully Nonlocal Correction to the RPA, Journal of Chemical Physics, 134, 114110 (2011).
A. Ruzsinszky, J. Sun, B. Xiao and G.I. Csonka, A meta-GGA made free of the order-of limits anomaly, Journal of Chemical Theory and Computation 8, 2078 (2012).
P.D. Mezei, G.I. Csonka, A. Ruzsinszky and J. Sun, Accurate, Precise and Efficient Theoretical Methods to Calculate Anion-π Interaction Energies in Model Structures, submitted to Journal of Chemical Theory and Computation.
B. Xiao, J. Sun, A. Ruzsinszky, J.P. Perdew, Testing the Jacob's ladder of density functionals for electronic structure and magnetism of rutile VO2 Physical Review B 90, 085134 (2014).
M.R. Pederson, A Ruzsinszky, J.P. Perdew, Communication: Self-interaction correction with unitary invariance in density functional theory, The Journal of Chemical Physics 140, 121103 (2014).
J. Sun, B. Xiao, Y. Fang, R. Haunschild, P. Hao, A. Ruzsinszky, G.I. Csonka, G.E. Scuseria, and J.P. Perdew, Density functionals that recognize covalent, metallic and weak bonds, Physical Review Letters 111 , 106401 (2013).
A. Ruzsinszky, J.P. Perdew,J. Tao, G.I. Csonka and J.M. Pitarke, van der Waals Coefficients for Nanoclusters:Fullerenes Defy Conventional Wisdom, Physical Review Letters 109, 233203, (2012).
J. Tao, J. P. Perdew and A. Ruzsinszky, Accurate van der Waals Coefficients from Density Functional Theory, Proceedings of the National Academy of Sciences 109, 18 (2012).
A. Ruzsinszky, J.P. Perdew, G.I. Csonka, A Simple but Fully Nonlocal Correction to the RPA, Journal of Chemical Physics, 134, 114110 (2011).
A. Ruzsinszky, J. Sun, B. Xiao and G.I. Csonka, A meta-GGA made free of the order-of limits anomaly, Journal of Chemical Theory and Computation 8, 2078 (2012).