Adrienn RuzsinszkyAssistant Professor of PhysicsPh.D., Budapest University of Technology and EconomicsSERC, Room 708

Research Interests
Research Interests:
Method development:
RandomPhase Approximation (RPA), Green’s function (GW), development of nonlocal kernels for RPA/GW and timedependent density functional theory (TDDFT), development of polarizability models for van der Waals interactions, development of metageneralized gradient approximation (metaGGA) functionals for groundstate 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
 ManyBody Electron Theory
 Computational Materials Science
 Computational Chemistry
Method development:
RandomPhase Approximation (RPA), Green’s function (GW), development of nonlocal kernels for RPA/GW and timedependent density functional theory (TDDFT), development of polarizability models for van der Waals interactions, development of metageneralized gradient approximation (metaGGA) functionals for groundstate 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 ManyBody Approximations, in preparation.
P.D. Mezei, G.I. Csonka, A. Ruzsinszky and J. Sun, Accurate, Precise and Efficient Theoretical Methods to Calculate Anionπ 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: Selfinteraction 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 metaGGA made free of the orderof 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 Anionπ 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: Selfinteraction 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 metaGGA made free of the orderof limits anomaly, Journal of Chemical Theory and Computation 8, 2078 (2012).