Publications of Mira Todorova

Todorova, M.: Selective stabilization of polar oxide surfaces in electrochemical environment. Workshop: The Electrode Potential in Electrochemistry - A Challenge for Electronic Structure Theory Calculations, Schloß Reisensburg, Günzburg, Germany (2017)

Todorova, M.: Free energy sampling for electrochemical systems. Workshop II: Stochastic Sampling and Accelerated Time Dynamics on Multidimensional Surfaces, IPAM, UCLA, Los Angeles, CA, USA (2017)

Todorova, M.: Ab-initio modelling of electrochemical processes: Challenges and insights. Workshop: Fundamental Electrochemistry: Theory Meets Experiment, Leiden, The Netherlands (2017)

Surendralal, S.; Todorova, M.; Finnis, M. W.; Neugebauer, J.: A molecular dynamics study of the Mg(0001)/H₂O interface using empirical potentials. IMPRS-SURMAT Annual Retreat 2017, Meschede, Germany (2017)

Todorova, M.: From weakened chemical bonds to materials breakdown: An ab initio perspective. DPG 2017, Dresden, Germany (2017)

Todorova, M.: From semiconductor defect chemistry to electrochemistry: Insight into corrosion mechanisms from ab initio concepts. 57 Sanibel Symposium, St. Simon Island, GA, USA (2017)

Todorova, M.: Ab initio description of oxides in an electrochemical environment. TMS 2017, San Diego, CA, USA (2017)

Todorova, M.: From semiconductor defect chemistry to electrochemistry: Gaining new insights from computational physics tools. ICCP10 Conference , Macao, China (2017)

Todorova, M.: Formation and dissolution of protective oxide layers in a wet electrochemical environment. MMM 2016 Conference, Dijon, France (2016)

Todorova, M.: Insights into corrosion mechanisms from ab initio concepts. Corrosion - Aqueous (GRS), New London, NH, USA (2016)

Todorova, M.: Elementary reaction steps in electrocatalysis: Theory meets experiment. Workshop 2016 der DFG-Forschergruppe 1376 , Reisensburg, Günzburg, Germany (2016)

Todorova, M.: Oxide stability and defect chemistry in an electrochemical environment: an ab initio perspective. Workshop 2016 der DFG-Forschergruppe 1376 “Elementary reaction steps in electrocatalysis: Theory meets experiment“, Reisensburg, Günzburg, Germany (2016)

Surendralal, S.; Todorova, M.; Neugebauer, J.: Automated calculations for charged point defects in MgO and α-Fe₂O₃. DPG-Frühjahrstagung 2016, Regensburg, Germany (2016)

Vatti, A. K.; Todorova, M.; Neugebauer, J.: Ab initio Determination of Formation Energies and Charge Transfer Levels of Charged Ions in Water. APS 2016, Baltimore, MD, USA (2016)

Vatti, A. K.; Todorova, M.; Neugebauer, J.: Formation Energy of Ions in Water using ab-initio Molecular Dynamics. DPG Frühjahrstagung 2016, Regensburg, Germany (2016)

Todorova, M.: Electrochemistry from the perspective of semiconductor defect chemistry: New tools and insights. Psi-k Conference, San Sebastian, Spain (2015)

Vatti, A. K.; Todorova, M.; Neugebauer, J.: Formation Energy of Halide ions (Cl/Br/I) in water from ab-initio Molecular Dyna. Psi-k 2015 Conference, San Sebastián, Spain (2015)

Todorova, M.: Thermodynamic stability of bulk oxides and their defects in an electrochemical environment. 5th Sino-German Symposium, Changchun, China (2015)

Todorova, M.: Aqueous corrosion from the perspective of semiconductor defect chemistry: New Tools and Insights. CMRI Workshop, Sendai, Japan (2015)

Todorova, M.: From semiconductor defect chemistry to electrochemisty: New tools and insights. Workshop “Enabling methods for materials innovation: From quantum to mesoscale”, Gainesville, FL, USA (2015)