Vladan Stevanovic

Assistant Professor, Metallurgical and Materials Engineering
Vladan Stevanovic

Education

Postdoctoral training September 2009 – May 2012

National Renewable Energy Laboratory (NREL), Golden, Colorado, USA Advisor: Dr. Alex Zunger

PhD in theoretical solid-state physics July 2005 – September 2009

Ecole Polytechnique Fédérale de Lausanne (EPFL), Switzerland Advisor: Prof. Alfonso Baldereschi

 
Diploma (MA) in theoretical physics September 2004

Faculty of Physics, University of Belgrade, Belgrade, Serbia Advisor: Prof. Milan Damnjanovic

 

Profile

• Theoretical solid-state physicist with multidisciplinary research experience in computational materials physics
and materials science; focus on inorganic functional materials, materials discovery and design
• Holds joint Tenure Track Assistant Professor position between Colorado School of Mines (Department of
Metallurgy and Materials Engineering) and National Renewable Energy Laboratory (NREL), Golden CO, USA
• Published in top physics, chemistry and materials science journals; total of 74 papers, two book chapters,
one patent, two published codes; Google Scholar: H-index 26, over 900 citations in 2018 (~2,500 total)
• 23 invited talks; 10 at major solid-state physics and materials science conferences (APS, MRS, E-MRS, TMS)
• 11 seminars and colloquia including: NUS, NTU, Brookhaven National Lab, MIT, University College London,
Thomas Young Centre London, National High Magnetic Field Laboratory, CU Boulder, EPFL, CSM, Boise State
• Successful in establishing an independent and internationally recognized research group.
• Over the last 6 years contributed to winning more than $17M in grants, from individual to large and
collaborative; from US National Science Foundation, US Department of Energy, Industry and other
• Graduated 2 PhD students; presently advising three PhD students and two postdocs
• Lectures “Computational Materials” and “Engineered Materials” undergraduate level courses at Colorado
School of Mines. During PhD awarded as one of the best teaching assistants.

 

Work

Assistant Professor August 2015 – Present

Joint appointment: Dept. of Metallurgy and Materials Engineering, Colorado School of Mines & NREL

Research Assistant Professor June 2012 – August 2015

Joint appointment: Department of Physics, Colorado School of Mines & NREL

Grants/Awards

 

Development and Application of Electronic Structure Theory

For Inorganic Materials $173K, May 2018 – Sept. 2018

Funding: NREL Laboratory Directed Research and Development (LDRD)

Role: PI

DMREF: Collaborative Research: Accelerating Thermoelectric
Materials Discovery via Dopability Predictions $1.6M, Sept 2017 – Aug. 2021

Funding: Division of Materials Research, US National Science FoundationRole: co-PI (leading computational effort)

Predicting Thermoelectric Performance of
Binary and Ternary Sulfides $120K, July 2016 – Aug. 2017

Funding: Industry grant from IMRA Europe, S.A.S., France

Role: PI

Collaborative Research: SusChEM:

Air-stable, high-lifetime bismuth compounds as solar absorbers with perovskite-like band structures $500K, Aug. 2016 – Sept. 2019

Funding: Division of Chem., Bioeng., Env., & Transp. Sys., US National Science Foundation

Role: PI (collaborative grant with Prof. Tonio Buonassisi from MIT)

DMREF: COUPLED: Computation of Undiscovered Piezoelectrics
and Linked Experiments for Design $1.6M, Sept 2015 – Aug. 2019

Funding: Division of Materials Research, US National Science Foundation

Role: co-PI

Center for Next Generation Materials by Design:
Incorporating Metastability $14M, Oct. 2014 – Sept. 2018

Funding: Energy Frontiers Research Centers, US Department of Energy, Office of Science

Role: PI and a trust leader (collaboration between 7 institutions and 15 PIs)

Collaborative Research:
Computational Thermochemistry of Compounds $495K, Sept. 2013 – Sept. 2016

Funding: Division of Materials Research, US National Science Foundation

Role: PI

DMREF/Collaborative Research: Computationally Driven
Targeting of Advanced Thermoelectric Materials $1.6M, Sept. 2013 – Sept. 2017

Funding: Division of Materials Research, US National Science Foundation

Role: co-PI (leading computational effort)

Next-Generation Thermoelectric Materials
For Direct Solar Power Conversion $750K, Sept. 2013 – Sept. 2016

Funding: NREL Laboratory Directed Research and Development (LDRD)

Role: PI (collaborative NREL/Mines effort)

Special Teaching Prize, Swiss Federal Institute of technology in Lausanne (EPFL), 2008

“Special prize funded by the EPFL’s Vice President for Academic Affairs, in recognition for the excellent
quality of teaching and competence, and readiness to engage in various aspects of teaching duties”

 

Papers:

Submitted:

1. N. Lanata, T.-H. Lee,Y.-X. Yao, V. Stevanovic, and V. Dobrosavljevic, “Critical role of electronic correlations
in determining crystal structure of transition metal compounds”, arXiv preprint arXiv:1710.08586 (2018)
2. R. McKinney, P. Gorai, E. S. Toberer, and V. Stevanovic, “Rapid Prediction of Anisotropic Lattice Thermal
Conductivity: Application to Layered Materials”, http://dx.doi.org/10.26434/chemrxiv.7439192.v1
3. P. Gorai, B. Ortiz, E. S. Toberer, and V. Stevanovic, “A Simple Chemical Guide for Accelerated Discovery of
n-type Dopable Zintl Thermoelectric Materials”, submitted
4. E. B. Jones and V. Stevanovic, “The Glassy Solid as a Statistical Ensemble of Crystalline Microstates”,
submitted

Published:
2018:

1. C. M. Crawford, B. R. Ortiz, P. Gorai, V. Stevanovic, and E. S. Toberer, “Experimental and computational
phase boundary mapping of Co4Sn6Te6”, J. Mater. Chem. A 6, 24175 (2018)
http://dx.doi.org/10.1039/C8TA07539E
2. P. Gorai, E. S. Toberer, and V. Stevanovic, “Effective n-type doping of Mg3Sb2 with group-3 elements”, J.
Appl. Phys. 125, 025105 (2019) http://dx.doi.org/10.1063/1.5081833
3. C. J. Bartel, S. L. Millican, A. M. Deml, J. R. Rumptz, W. Tumas, A. W. Weimer, S. Lany, V. Stevanovic, C. B.
Musgrave, and A. M. Holder, “Physical descriptor for the Gibbs energy of inorganic crystalline solids and
prediction of temperature-dependent materials chemistry”, Nature Communications 9, 4168 (2018)
http://dx.doi.org/10.1038/s41467-018-06682-4
4. A. Goyal and V. Stevanovic, “Metastable, rocksalt ZnO is p-type dopable”, Phys. Rev. Materials 2, 084603
(2018) http://dx.doi.org/10.1103/PhysRevMaterials.2.084603
5. R. Kurchin, P. Gorai, T. Buonassisi, and V. Stevanovic, “Structural and Chemical Features Giving Rise to
Defect Tolerance of Semiconductors”, Chem. Mater. 30, 5583 (2018)
http://dx.doi.org/10.1021/acs.chemmater.8b01505
6. S. Manna, P. Gorai, G. L. Brennecka, C. V. Ciobanu, and V. Stevanovic, “Large piezoelectric response of
layered, van der Waals solids”, J. Mater. Chem. C, 2018, Advance Article (2018)
http://dx.doi.org/10.1039/C8TC02560F
7. R. McKinney, P. Gorai, S. Manna, E. Toberer, and V. Stevanovic, “Ionic vs. van der Waals Layered
Materials: Identification and Comparison of Elastic Anisotropy”, J. Mater. Chem. A 6, 15828 (2018)
http://dx.doi.org/10.1039/C8TA04933E
8. J. P. Correa-Baena, K. Hippalgaonkar, J. van Duren, S. Jaffer, V. R Chandrasekhar, V. Stevanovic, C.
Wadia, S. Guha, T. Buonassisi, “Accelerating Materials Development via Automation, Machine Learning,
and High-Performance Computing”, Joule 2, 1 (2018) https://dx.doi.org/10.1016/j.joule.2018.05.009
9. Group of authors, “The 2018 Materials by Design Roadmap”, J. Phys. D: Appl. Phys. (2018)
http://dx.doi.org/10.1088/1361-6463/aad926
10. P. Gorai, B. R. Ortiz, E. S. Toberer, and V. Stevanovic, “Investigation of n-type Doping Strategies for
Mg3Sb2”, Journal of Materials Chemistry A (2018) https://dx.doi.org/10.1039/c8ta03344g
11. A. Goyal, S. McKechnie, D. Pashov, W. Tumas, M. van Schilfgaarde, and V. Stevanovic, “Origin of Large
4
Band Gap Reduction in Lead-Tin Hybrid Perovskite Alloys”, Chem. Mater. 30, 3920 (2018)
http://dx.doi.org/10.1021/acs.chemmater.8b01695
12. B. R. Ortiz, W. Peng, L. C. Gomes, P. Gorai, T. Zhu, D. M. Smiadak, G. J. Snyder, V. Stevanovic, E. Ertekin, A.
Zevalkink, and E. S. Toberer, “Ultralow Thermal Conductivity in Diamond-Like Semiconductors: Selective
Scattering of Phonons from Antisite Defects”, Chem. Mater. 30, 3395 (2018)
http://dx.doi.org/10.1021/acs.chemmater.8b00890
13. S. Manna, K. R. Talley, A. Zakutayev, G. L. Brennecka, V. Stevanovic, C. V. Ciobanu, “Enhanced
piezoelectric response of AlN via CrN alloying”, Phys. Rev. Applied 9, 034026 (2018)
http://dx.doi.org/10.1103/PhysRevApplied.9.034026
14. V. Stevanovic, R. Trottier, F. Therrien, C. Musgrave, A. Holder, and P. Graf, “Predicting kinetics of
polymorphic transformations from structure mapping and coordination analysis”, Phys. Rev. Materials 2,
033802 (2018) http://dx.doi.org/10.1103/PhysRevMaterials.2.033802
15. S. J. R. Likith, C. Farberow, S. Manna, A. Abdulslam, V. Stevanovic, D. Ruddy, J. Schaidle, D. Robichaud, C.
Ciobanu, “Thermodynamic Stability of Molybdenum Oxycarbides Formed From Orthorhombic Mo2C in
Oxygen-Rich Environments”, J. Phys. Chem. C 122, 1223 (2018) http://dx.doi.org/10.1021/acs.jpcc.7b11110
16. S. A. Miller, I. Witting, U. Aydemir, L. Peng, A. J. E. Rettie, P. Gorai, D. Young Chung, M. G. Kanatzidis, M.
Grayson, V. Stevanovic, E. S. Toberer, and G. J. Snyder, “Polycrystalline ZrTe5 parametrized as a narrowband-gap semiconductor for thermoelectric performance”, Phys. Rev. Applied 9, 014025 (2018)
https://doi.org/10.1103/PhysRevApplied.9.014025

2017:

17. E. B. Jones, and V. Stevanovic, “Polymorphism in elemental silicon: Probabilistic interpretation of the
realizability of metastable structures”, Phys. Rev. B 96, 184101 (2017)
http://dx.doi.org/10.1103/PhysRevB.96.184101
18. A. Goyal, P. Gorai, E. S. Toberer, and V. Stevanovic, “First-principles Calculation of Intrinsic Defect
Chemistry and Self-doping in PbTe”, npj Computational Materials 3, 42 (2017)
http://dx.doi.org/10.1038/s41524-017-0047-6
19. C. L. Melamed, B. R. Ortiz, P. Gorai, A. D. Martinez, W. E. McMahon, E. M. Miller, V. Stevanovic, A. C.
Tamboli, A. G. Norman, and E. S. Toberer, “Large Area Atomically Flat Surfaces via Exfoliation of Bulk Bi2Se3
Single Crystals”, Chem. Mater. 29, 8472 (2017) http://dx.doi.org/10.1021/acs.chemmater.7b03198
20. S. Manna, G. L. Brennecka, V. Stevanovic, and C. V. Ciobanu, “Tuning the piezoelectric and mechanical
properties of the AlN system via alloying with YN and BN”, J. Appl. Phys. 122, 105101 (2017)
http://dx.doi.org/10.1063/1.4993254
21. S. S. Lobanov, X. Dong, N. S. Martirosyan, A. I. Samtsevich, V. Stevanovic, P. N. Gavryushkin, K. D. Litasov, E.
Greenberg, V. B. Prakapenka, A. R. Oganov, A. F. Goncharov, “Raman spectroscopy and X-ray
diffraction of sp3-CaCO3 at lower mantle pressures”, Phys. Rev. B 96, 104101 (2017)
http://dx.doi.org/10.1103/PhysRevB.96.104101
22. S. A. Miller, P. Gorai, U. Aydemir, T. O. Mason, V. Stevanovic, E. S. Toberer, and G. J. Snyder, “SnO as a
potential oxide thermoelectric candidate”, J. Mater. Chem. C 5, 8854 (2017)
http://dx.doi.org/10.1039/C7TC01623A
23. P. Gorai, V. Stevanovic, and E. Toberer, “Computationally Guided Discovery of Thermoelectric Materials”,
Nature Reviews Materials 2, 17053 (2017) http://dx.doi.org/10.1038/natrevmats.2017.53
24. R. W. McKinney, P. Gorai, V. Stevanovic, E. S. Toberer, “Search for new thermoelectric materials with low
Lorenz number”, J. Mater. Chem. A 5, 17302 (2017) http://dx.doi.org/10.1039/C7TA04332E
25. J. R. Poindexter, R. L. Z. Hoye, L. Nienhaus, R. C. Kurchin, A. E. Morishige, E. E. Looney, A. Osherov, J.-P.
5
Correa-Baena, B. Lai, V. Bulovic, V. Stevanovic, M. G. Bawendi, and T. Buonassisi, “High Tolerance to Iron
Contamination in Lead Halide Perovskite Solar Cells”, ACS Nano 11, 7101 (2017)
http://dx.doi.org/10.1021/acsnano.7b02734
26. R. L. Z. Hoye, L. C. Lee, R. C. Kurchin, T. N. Huq, K. H. L. Zhang, M. Sponseller, L. Nienhaus, R. E. Brandt, J.
Jean, J. A. Polizzotti, A. Kursumovic, M. G. Bawendi, V. Bulovic, V. Stevanovic, T. Buonassisi, J. L.
MacManus-Driscoll, “Strongly Enhanced Photovoltaic Performance and Defect Physics of Air-Stable
Bismuth Oxyiodide (BiOI)”, Adv. Mater. 29, 1702176 (2017) https://dx.doi.org/10.1002/adma.201702176
27. B. R. Ortiz, P. Gorai, V. Stevanovic, and Eric S. Toberer, “Thermoelectric Performance and Defect
Chemistry in n-Type Zintl KGaSb4”, Chem. Mater. 29, 4523 (2017)
http://dx.doi.org/10.1021/acs.chemmater.7b01217
28. R. Brandt, J. Poindexter, R. Kurchin, P. Gorai, R. Hoye, L. Nienhaus, M. Wilson, A. Polizzotti, R. Sereika, R.
Zaltauskas, L. Lee, J. D. MacManus Driscoll, M. Bawendi, V. Stevanovic, and T. Buonassisi, “Searching for
“defect-tolerant” photovoltaic materials: Combined theoretical and experimental screening”, Chem.
Mater. 29, 4667 (2017) http://dx.doi.org/10.1021/acs.chemmater.6b05496
29. R. L. Z. Hoye, P. Schulz, L. T. Schelhas, A. M. Holder, K. H. Stone, J. D. Perkins, D. Vigil-Fowler, S. Siol, D. O.
Scanlon, A. Zakutayev, A. Walsh, I. C. Smith, B. C. Melot, R. C. Kurchin, Y. Wang, W. Tumas, S. Lany, V.
Stevanovic, M. F. Toney, and T. Buonassisi, “Perovskite-inspired photovoltaics: Best practices in materials
characterization and calculations”, Chem. Mater. 29, 1964 (2017)
http://dx.doi.org/10.1021/acs.chemmater.6b03852
30. S. A. Miller, P. Gorai, B. R. Ortiz, A. Goyal, D. Gao, S. A. Barnett, T. O. Mason, G. J. Snyder, Q. Lv, V.
Stevanovic, and E. S. Toberer, “Capturing Anharmonicity in a Lattice Thermal Conductivity Model for Highthroughput Predictions”, Chem. Mater. 29, 2494 (2017) http://dx.doi.org/10.1021/acs.chemmater.6b04179
31. A. Goyal, P. Gorai, H. Peng, S. Lany, and V. Stevanovic, “A Computational Framework for Automation of
Point Defect Calculations”, Computational Materials Science 130, 1 (2017)
http://dx.doi.org/10.1016/j.commatsci.2016.12.040
32. B. R. Ortiz, P. Gorai, L. Krishna, R. Mow, R. McKinney, A. Lopez, V. Stevanovic, and E. S. Toberer, “Potential
for high thermoelectric performance in n-type Zintl compounds: a case study of Ba doped KAlSb4”, J.
Mater. Chem. A 5, 4036 (2017) http://dx.doi.org/10.1039/C6TA09532A

2016:

33. P. Gorai, E. Toberer, and V. Stevanovic, “Thermoelectricity in Transition Metal Compounds: Role of Spin
Disorder”, Phys. Chem. Chem. Phys. 18, 31777 (2016) http://dx.doi.org/10.1039/C6CP06943F
34. K. X. Steirer, P. Shulz, G. Teeter, V. Stevanovic, M. Yang, K. Zhu, J. Berry, “Defect Tolerance in
Methylammonium Lead Triiodide Perovskite”, ACS Energy Lett. 1, 360 (2016)
http://dx.doi.org/10.1021/acsenergylett.6b00196
35. P. Gorai, E. Toberer, and V. Stevanovic, “Computational Identification of Promising Thermoelectric
Materials Among Known Quasi-2D Binary Compounds”, J. Mater. Chem. A 4, 11110 (2016)
http://dx.doi.org/10.1039/C6TA04121C
36. C. M. Caskey, A. Holder, S. Shulda, S. Christensen, D. Diercks, C. P. Schwartz, D. Biagioni, D. Nordlund, A.
Kukliansky, A. Natan, D. Prendergast, B. Orvananos, W. Sun, X. Zhang, G. Ceder, W. Tumas, D. S. Ginley, J.
D. Perkins, V. Stevanovic, S. Pylypenko, S. Lany, R. M. Richards, and A. Zakutayev, “Synthesis of a mixedvalent tin nitride and considerations of its possible crystal structures”, J. Chem. Phys. 144, 144201 (2016)
http://dx.doi.org/10.1063/1.4945561
37. A. M. Deml, R. O’Hayre, C. Wolverton, V. Stevanovic, “Predicting DFT total energies and enthalpies of
formation of metal-nonmetal compounds by linear regression”, Phys. Rev. B 93, 085142 (2016)
http://dx.doi.org/10.1103/PhysRevB.93.085142
6
38. V. Stevanovic, “Sampling polymorphs of ionic solids using random superlattices”, Phys. Rev. Lett. 116,
075503 (2016) http://dx.doi.org/10.1103/PhysRevLett.116.075503
39. R. L. Z. Hoye, R. E. Brandt, A. Osherov, V. Stevanovic, S. D. Stranks, M. W. B. Wilson, H. Kim, A. J. Akey, J. D.
Perkins, R. C. Kurchin, J. R. Poindexter, E. N. Wang, M. G. Bawendi, V. Bulovic and T. Buonassisi,
“Methylammonium bismuth iodide as a lead-free, stable hybrid organic- inorganic solar absorber”, Chem.
Eur. J. 22, 2605 (2016) http://dx.doi.org/10.1002/chem.201505055
40. A. D. Martinez, E. L. Warren, P. Gorai, K. A. Borup, D. Kuciauskas, P. C. Dippo, B. R. Ortiz, R. T. Macaluso, S.
D. Nguyen, A. G. Norman, V. Stevanovic, E. S. Toberer, A. C. Tamboli, “Solar energy conversion properties
and defect physics of ZnSiP2”, Energy Environ. Sci. 9, 1031 (2016) http://dx.doi.org/10.1039/C5EE02884A
41. N. H. Perry, V. Stevanovic, L. Y. Lime, and T. O. Mason, “Discovery of a Ternary Pseudobrookite Phase in the
Earth-Abundant Ti-Zn-O System”, Dalton Transactions 45, 1572 (2016)
http://dx.doi.org/10.1039/C5DT04145G
42. P. Gorai, D. Gao, B. Ortiz, S. Miller, S. A. Barnett, T. Mason, Q. Lv, V. Stevanovic, and E. S. Toberer, “TE
Design Lab: A Virtual Laboratory for Thermoelectric Material Design”, Comp. Mat. Sci. 112, 368 (2016)
http://dx.doi.org/10.1016/j.commatsci.2015.11.006

2015:

43. R. Brandt, R. Kurchin, R. Hoye, J. Poindexter, M. Wilson, S. Sulekar, F. Lenahan, P. X. T. Yen, V. Stevanovic, J.
Nino, M. Bawendi, and T. Buonassisi, “Investigation of Bismuth Triiodide (BiI3) for Photovoltaic Applications”,
J. Phys. Chem. Lett. 6, 4297 (2015) http://dx.doi.org/10.1021/acs.jpclett.5b02022
44. P. Gorai, P. Parilla, E. Toberer, and V. Stevanovic, “Computational Exploration of the Binary A1B1 Chemical
Space for Thermoelectric Performance”, Chem. Mater. 27, 6213 (2015)
http://dx.doi.org/10.1021/acs.chemmater.5b01179
45. D. Cahen, D. Ginley, J. Berry, T. Buonassisi, D. A. Egger, G. Hodes, L. Kronik, Y.-L. Loo, I. Lubomirsky, S. R.
Marder, Y. Mastai, J. S. Miller, D. B. Mitzi, Y. Paz, A. Rappe, I. Riess, B. Rybtchinski, O. Stafsudd, V.
Stevanovic, M. Toney, D. Zitoun, A. Kahn, “Hybrid Organic-Inorganic Perovskites (HOIPs): Opportunities and
Challenges”, Adv. Mater. 27, 5102 (2015) http://dx.doi.org/10.1002/adma.201502294
46. A. M. Deml, A. M. Holder, R. O’Hayre, C. B. Musgrave, and V. Stevanovic, “Intrinsic Material Properties
Dictating Oxygen Vacancy Formation Energetics in Metal Oxides”, J. Phys. Chem. Lett. 6, 1948 (2015)
http://dx.doi.org/10.1021/acs.jpclett.5b00710
47. R. E. Brandt, V. Stevanovic, D. S. Ginley, and T. Buonassisi, “Identifying defect-tolerant semiconductors with
high minority carrier lifetimes: Beyond hybrid lead halide perovskites”, MRS Communications 5, 265 (2015)
http://dx.doi.org/10.1557/mrc.2015.26
48. A. Zakutayev, V. Stevanovic, S. Lany, “Non-equilibrium alloying controls optoelectronic properties in Cu2O
thin films for photovoltaic absorber applications”, Appl. Phys. Lett. 106, 123903 (2015)
http://dx.doi.org/10.1063/1.4914974
49. C. M. Caskey, J. A. Seabold, V. Stevanovic, M. Ma, W. A. Smith, D. S. Ginley, N. R. Neale, R. M. Richards, S.
Lany, and A. Zakutayev, “Semiconducting properties of Sn3N4 spinel and other IV3N4 polymorphs”, J.
Mater. Chem. C 3, 1389 (2015) http://dx.doi.org/10.1039/C4TC02528H
50. Yan, P. Gorai, B. Ortiz, S. Miller, S. A. Barnett, T. Mason, V. Stevanovic, and E. S. Toberer, “Material
descriptors for thermoelectric performance”, Energy Environ. Sci. 8, 983 (2015)
http://dx.doi.org/10.1039/C4EE03157A
51. A. D. Martinez, B. R. Ortiz, N. E. Johnson, L. Krishna, S. Choi, B. To, A. G. Norman, P. Stradins, V. Stevanovic,
E. S. Toberer, and A.C. Tamboli, “Development of ZnSiP2 for Si-based tandem solar cells”, IEEE Journal of
Photovoltaics 5, 17 (2015) http://dx.doi.org/10.1109/JPHOTOV.2014.2362305

2014:

52. A. M. Deml, V. Stevanovic, M. Sanders, C. B. Musgrave, and R. O’Hayre, “Tunable oxygen vacancy
formation energetics in the complex perovskite oxide SrxLa1-xMnyAl1-yO3”, Chem. Mater. 26, 6595 (2014)
http://dx.doi.org/10.1021/cm5033755
53. V. Stevanovic, A. Zakutayev and S. Lany, “Composition Dependence of the Band Gap and Doping in
Cu2O-Based Alloys as Predicted by an Extension of the Dilute-Defect Model”, Phys. Rev. Applied 2, 044005,
(2014) http://dx.doi.org/10.1103/PhysRevApplied.2.044005
54. E. M. Miller, Y. Zhao, C. Mercado, S. Saha, J. M. Luther, K. Zhu, V. Stevanovic, C. L. Perkins, and J. van de
Lagemaat, “Substrate-controlled Band Positions in CH3NH3PbI3 Perovskite Films”, Phys. Chem. Chem. Phys.
16, 22122, (2014) http://dx.doi.org/10.1039/C4CP03533J
55. V. Stevanovic, K. Hartman, R. Jaramillo, S. Ramanathan, T. Buonassisi, and P. Graf, “Variations of ionization
potential and electron affinity as a function of surface orientation: the case of orthorhombic SnS”, Appl.
Phys. Lett. 104, 211603 (2014) http://dx.doi.org/10.1063/1.4879558
56. A. M. Deml, V. Stevanovic, C. L. Muhich, C. B. Musgrave, and R. O’Hayre, “Oxide enthalpy of formation
and band gap energy as accurate descriptors of oxygen vacancy formation energetics”, Energy Environ.
Sci. 7, 1996, (2014) http://dx.doi.org/10.1039/C3EE43874K
57. L. L. Baranowski, L. Krishna, A. D. Martinez, T. Raharjo, V. Stevanovic, A. C. Tamboli, and E. S. Toberer,”
Synthesis and optical band gaps of alloyed Si-Ge type II clathrates”, J. Mater. Chem. C 2, 3231 (2014)
http://dx.doi.org/10.1039/C3TC32102A
58. A. Zakutayev, C. M. Caskey, A. Fioretti, D. S. Ginley, J. Vidal, V. Stevanovic, E. Tea, and S. Lany, “Defect
tolerant semiconductors for solar energy conversion”, J. Phys. Chem. Lett. 5, 1117 (2014)
http://dx.doi.org/10.1021/jz5001787
59. L. Krishna, A. D. Martinez, L. L. Baranowski, N. P. Brawand, C. A. Koh, V. Stevanovic, M.T. Lusk, E.S. Toberer,
and A.C. Tamboli, “Group IV clathrates: synthesis, optoelectronic properties, and photovoltaic
applications,” Proc. SPIE, paper #898108, (2014) http://dx.doi.org/10.1117/12.2040056
60. A. Subramaniyan, J. D. Perkins, R. P. O’Hayre, S. Lany, V. Stevanovic, D. S. Ginley and A. Zakutayev, “Nonequilibrium deposition of phase pure Cu2O thin films at reduced growth temperature”, APL Mat. 2, 022105
(2014) http://dx.doi.org/10.1063/1.4865457
61. V. Stevanovic, S. Lany, D. S. Ginley, W. Tumas, and A. Zunger, “Assessing Capability of Semiconductors to
Split Water Using Ionization Potentials and Electron Affinities Only”, Phys. Chem. Chem. Phys.16, 3706 (2014)
http://dx.doi.org/10.1039/c3cp54589j
62. P. F. Ndione, Y. Shi, V. Stevanovic, A. Zakutayev, J. S. Bettinger, S. Lany, P. A. Parilla, J. D. Perkins, J. J.
Berry, N. H. Perry, D. S. Ginley, M. F. Toney, “Control of the Electrical Properties in Spinel Oxides by
Manipulating the Cation Disorder”, Adv. Funct. Mater. 24, 610 (2014)
http://dx.doi.org/10.1002/adfm.201302535 (P. F. Ndione, Y. Shi, and V. Stevanovic equal contributions)

2013 and Before:

63. V. Stevanovic, “Experiments Make Missing Materials Predicted by Theory”, Frontiers in Energy Research,
EFRC Newsletter, Sept. (2013)
64. H. Peng, D. O. Scanlon, V. Stevanovic, J. Vidal, G. W. Watson, and S. Lany, “Convergence of density and
hybrid functional defect calculations for compound semiconductors”, Phys. Rev. B 88, 115201 (2013)
http://dx.doi.org/10.1103/PhysRevB.88.115201
65. J. Vidal, X. Zhang, V. Stevanovic, J.-W. Luo, and A. Zunger, ”Large insulating gap in topological insulators
induced by negative spin-orbit”, Phys. Rev. B 86, 075316 (2012)
http://dx.doi.org/10.1103/PhysRevB.86.075316
8
66. X. Zhang, V. Stevanovic, M. d’Avezac, S. Lany, and A. Zunger, ”Prediction of A2BX4 Metal-Chalcogenide
Compounds Via First-Principles Thermodynamics”, Phys. Rev. B 86, 014109 (2012)
http://dx.doi.org/10.1103/PhysRevB.86.014109
67. V. Stevanovic, X. Zhang, S. Lany, and A. Zunger, ”Correcting density functional theory for accurate
predictions of compound enthalpies of formation: Fitted elemental-phase reference energies (FERE)”,
Phys. Rev. B 85, 115104 (2012) http://dx.doi.org/10.1103/PhysRevB.85.115104
68. V. Stevanovic, M. d’Avezac, and A. Zunger, ”Universal Electrostatic Origin of Cation Ordering in A2BX4
Spinel Oxides”, J. Am. Chem. Soc. 133, 11649 (2011) http://dx.doi.org/10.1021/ja2034602
69. V. Stevanovic, M. d’Avezac, and A. Zunger, ”Simple Point-ion Electrostatic Model Explains the Cation
Distribution in Spinel Oxides”, Phys. Rev. Lett. 105, 075501, (2010)
http://dx.doi.org/10.1103/PhysRevLett.105.075501
70. V. Stevanovic, Z. Sljivancanin, and A. Baldereschi,”Role of C and CO Adsorbates on the Atomic Structure
of Free and MgO(100) Supported Ir4 Clusters”, J. Phys. Chem. C 114 , 15653, (2010)
http://dx.doi.org/10.1021/jp101012b
71. A. Akrap, V. Stevanovic, M. Herak, M. Miljak, N. Barisic, H. Berger, and L. Forro, ”Transport and magnetic
properties of BaVSe3”, Phys. Rev. B 78, 235111 (2008) http://dx.doi.org/10.1103/PhysRevB.78.235111
72. V. Stevanovic, Z. Sljivancanin, and A. Baldereschi, “Effect of Carbon Adsorption on the Isomer Stability of
Ir4 Clusters”, Phys. Rev. Lett. 99, 165501 (2007) http://dx.doi.org/10.1103/PhysRevLett.99.165501
73. P. Tronc, V. Stevanovic, I. Milosevic, and M. Damnjanovic, ”Symmetry properties of ZnO nanorods and
nanotubes”, Phys. Stat. Sol. (b), 1-7 (2006) http://dx.doi.org/10.1002/pssb.200541382
74. I. Milosevic, V. Stevanovic, P. Tronc, and M. Damnjanovic, ”Symmetry of zinc oxide nanostructures”, J.
Phys.: Condens. Matter 18, 1939 (2006) http://dx.doi.org/10.1088/0953-8984/18/6/010

 

Book Chapters

1. V. Stevanovic, P. Gorai, B. Ortiz, and E. S. Toberer, “Quest for New Thermoelectric Materials”, in
“Computational Materials Discovery”, edited by A. R. Oganov, G. Saleh, and A. G. Kvashnin, The Royal
Society of Chemistry (2019), ISBN 978-1-78262-961-0, http://dx.doi.org/10.1039/9781788010122
2. E. Toberer, P. Gorai, and V. Stevanovic, “Discovery and Design of New Thermoelectric Materials”, in
“Materials Aspects of thermoelectricity”, ed. C. Uher, CRC Press, Boca Raton (2017), ISBN 9781498754903 –
CAT# K27433

 

Patents

1. R. E. Brandt, R. C. Kurchin, A. Buonassisi, V. Stevanovic, and D. S. Ginley, “Optoelectric devices fabricated
with defect tolerant semiconductors”, US Patent App. 15/089, 443, 2016

 

Software

1. A. Goyal, P. Gorai, and V. Stevanovic, Software for automation of first principles point defect calculations,
available via GitHub at https://github.com/pylada/pylada-defects
2. V. Stevanovic, R. Trottier, F. Therrien, C. Musgrave, A. Holder, and P. Graf, Software for predicting kinetics
of polymorphic transformations using crystal structure mapping and coordination analysis, available via
GitHub at https://github.com/pylada/pylada-polymorph-pathfinder

 

Talks:

Coming:

2 invited talks at the Fall Meeting of the MRS
Invited talk at the 10th International Conference on Materials for Advanced Technologies (ICMAT 2019) – Symp
EE Materials Design and Accelerated Development 23-28 June Singapore.
Invited talk at the 59th Sanibel Symposium organized by the University of Florida Gainesville (Feb. 17-22, 2019)
Seminar, Physics Department, Florida State University Tallahassee (Apr. 12, 2019)

Previous:

Seminar, the National University of Singapore, Jan. 17th, 2019
Invited talk at A*Star Symposium beyond the Materials Genome at A*Star Singapore, Jan. 16th, 2019
Seminar, Division of Physics and Applied Physics, Nanyang Technological University Singapore, Jan. 15th, 2019
Seminar at Institute of High-Performance Computing, A*Star Singapore, Jan. 14th, 2019
Invited Talk, JUAMI-2018, two-week school of the Joint US Africa Materials Institute (JUAMI), Kampala,
Uganda, Dec.10-21, 2018
Invited Talk, 2018 Materials Research Society Fall Meeting, Boston, MA, Nov. 25 – Nov. 30, 2018
Invited Talk, Center for Computational Materials Sciences 2018 Fall Workshop, Riverhead, NY, Sept. 28-30
Contributed Talks (2), 2018 Materials Research Society Spring Meeting, Phoenix, MA, April 2 – April 6, 2018
Lecture, 2018 APS March Meeting, Tutorial: “Thermoelectrics”, Los Angeles CA, March 2018
Invited Talk, Center for Computational Materials Sciences 2017 Fall Workshop, Riverhead, NY, Oct. 26-27
Seminar, Brookhaven National Laboratory, Condensed Matter Physics & Material Science Seminar, Oct. 25th,
2017
Seminar, Micron School of Materials Science and Engineering, Department Seminar, Boise State, Oct. 6th, 2017
10
Invited Talk, 21st International Conference on Solid State Ionics, symposium: “Point defect chemistry of oxide
materials”, Padua, Italy, 18-23 June 2017
Invited Talk, 2017 Spring Meeting of European Materials Research Society, symposium: “Next generation of
earth-abundant materials for solar energy “, Strasbourg, France, May 22-26, 2017
Invited Talk, 2017 Study of Matter at Extreme Conditions (SMEC2017), session: “Computational Materials
Structure and Property Predictions – Methods and Applications for High Pressure and Low-Dimensional
Systems”, Caribbean Islands, April 1-9, 2017
Invited Talk, 2017 TMS annual meeting, symposium: “Alloys and Compounds for Thermoelectric and Solar Cell
Applications”, San Diego, California, San Diego, USA, Feb. 26 – March 2, 2017
Invited talk, TYC Soiree on Thermoelectrics, Thomas Young Centre, The London Centre For The Theory And
Simulation Of Materials, King’s College London, Nov. 24, 2016
Seminar, Department of Chemistry, University College London, Nov. 23, 2016
Invited Talk, Center for Computational Materials Sciences 2016 Fall Workshop, Stony Brook, Nov. 14-15, 2016
Invited talk, 2016 ECI Nonstochiometric Compounds Conference, Santa Fe, New Mexico, USA, September 4-8,
2016
Invited talk, 2016 Spring Meeting of European Materials Research Society, Lille, France, May 2-6, 2016
Invited talk, American Physical Society March Meeting 2016, Baltimore, MD, March 14-18
Colloquium, Massachusetts Institute of Technology, Mechanical Engineering Dept., Dec. 4, 2015
Invited talk, 2015 Materials Research Society Fall Meeting, Boston, MA, Nov. 29 – Dec. 4, 2015
Working visit, hosted by Prof. Buonassisi, Massachusetts Institute of Technology, Sept. 14 – Sept. 18, 2015
Panelist, IDC HPC User Forum, Broomfield, CO, Sept. 8-10, 2015
Invited talk, US-Japan MGI workshop, Tsukuba, Japan, June 22-24, 2015
Invited talk, BTO, LBNL, NREL Building Materials MGI Workshop, Golden, CO, June 18-19, 2015
Invited talk, NSF-BSF Workshop on Hybrid Organic-Inorganic Perovskites, Israel, Feb. 22-23, 2015
Seminar, National High Magnetic Field Laboratory, Tallahassee FL, Oct. 4, 2014
Contributed talk, ICMR Summer Workshop on “Ab-initio description of charged systems and
solid/liquid interfaces for semiconductors and electrochemistry”, Santa Barbara, July 6 – 11, 2014
Contributed talk, APS March Meeting 2014, Focus Session: “Computational Discovery and Design of New
Materials”, Denver, March 3-7, 2014
Invited talk, Fall 2013 Materials Research Society Meeting, Symposium: ”Strategies and Techniques to
Accelerate Inorganic Materials Innovation”, Boston, Dec. 1 – 6, 2013
Lecture, Fall 2013 Materials Research Society Meeting, MRS tutorial: “Materials by Design–New Materials
Discovery by Inverting Conventional Approaches”, Boston, Nov. 30, 2013
Contributed talk, 2013 American Physical Society March Meeting, Focus Session: “Computational Materials
Design”, Baltimore, MD, March 18-22
Invited talk, 2013 CCAC Student Conference, Estes Park, August 8-9, 2013
Invited talk, 2013 Annual TMS Meeting, Hume-Rothery Award Symposium: “Electronic structure theory of
stability and bonding in alloys”, San Antonio, TX, March 3-7, 2013
Physics Colloquium, Colorado School of Mines, November 13, 2012
Invited talk, “Challenges in PV Science, Technology, and Manufacturing: A workshop on the role of theory,
modeling, and simulation”, NSF workshop, Purdue University, August 2-3, 2012
11
Contributed talk, 2012 American Physical Society March Meeting, “Focus Session: Computational Materials
Design”, Boston, MA
Physics Seminar, University of Colorado at Boulder, October 13, 2011
Seminar, Institute of Theoretical Physics, EPFL, April 7, 2011, Lausanne, Switzerland
Invited talk, 2011 American Physical Society March Meeting; Focus Session: Computational Materials Design,
Dallas, TX
Contributed talk, 2011 American Physical Society March Meeting; Focus Session: Bulk properties of complex
oxides, Dallas, TX
Poster, “14th International Workshop on Computational Physics and Materials Science: Total Energy and Force
Methods”, Jan. 8-10, 2009, Trieste, Italy
Poster, “XVII Symposium on Condensed Matter Physics – SFKM 2007”, Sept. 16-20, 2007, Vrsac, Serbia
Summer school, “Ab–initio many-Body Theory”, July 22-29, 2007, San Sebastian, Spain
Seminar, Faculty of Physics, University of Belgrade, March 14, 2007, Belgrade, Serbia
Contributed talk, 2007 Annual meeting of the Swiss Physical Society, February 20, 2007, Zurich, Switzerland
Summer school, “Tutorial on the ab-initio simulation of the electronic, structural and dynamical properties of
materials”, Sept. 26-30, 2005, Cagliari, Italy

 

Synergic Activities

• 2017/2018 Scialog fellow ( http://rescorp.org/scialog )
• 2017 NREL advisor for the US DOE Science Undergraduate Laboratory Internships (SULI)
• Organizer of the Symposium AA “Computations for Materials – Discovery, Design and the role of Data”, at
the 2019 Spring Meeting of the European Materials Research Society, scheduled to be held from 27 – 31
May 2019 in Nice, France
• Organizer of the Focus Topic: Computational Discovery and Design of Novel Materials for the 2017 March
Meeting of the American Physical Society
• Organizer of Symposium MD1 – Materials, Interfaces and Devices by Design at the 2016 Spring Meeting of
the Materials Research Society
• Reviewer for US National Science Foundation, U.S. Department of Energy, Energy & Environ. Sci., Joule,
Science Advances, Nat. Comm., Phys. Rev. B, Phys. Rev. Applied, Phys. Rev. Materials, J. Phys. Chem. Lett.,
Chem. Mater.,…
• Co-developer of the pylada, a python software environment for performing high-throughput, first-principles
calculations (https://github.com/pylada)
• Co-founder and co-developer of NRELMatDB, the NREL’s computational materials database
(http://materials.nrel.gov)
• Co-founder and co-developer of the TEDesignLab (www.tedesignlab.org) an open online materials design
environment dedicated to thermoelectric materials

 

Contact

303-384-2382
301 Hill Hall
vstevano@mines.edu