Duane D. Johnson


Distinguished Professor [M S E]

Anson Marston Distinguished Professor of Engineering (2021-current)
F. Wendell Miller Professor of Energy Sciences (2010-2020)


130 Spedding
2416 Pammel Dr.
Ames, IA 500112416


Google Scholar:    https://scholar.google.com/citations?hl=en&user=L9vy2hUAAAAJ


  • Ph.D. Physics, University of Cincinnati, 1985
  • Post-Doctoral Research Fellow, University of Bristol, 1985-1986
  • NAS/NRC Post-Doctoral Research Fellowship, Naval Research Laboratory, 1987-1988


  • Anson Marston Distinguished Professor of Engineering, Iowa State University, 2021-present
  • F. Wendell Miller Professor, Materials Science & Engineering, Iowa State University, 2010-2022
  • Chief Research Officer (CRO), DOE’s Ames Laboratory, Iowa State University, 2010-2016
  • Director of the Materials Computation Center (MC2) at UIUC, 2000-2010
  • Ivan Racheff Professor, University of Illinois Urbana-Champaign (MatSE & Physics), 2009-2010
  • Professor, University of Illinois Urbana-Champaign (MatSE & Physics), 2004-2010
  • Associate Professor, University of Illinois Urbana-Champaign (MatSE & Physics), 1997-2004
  • Senior Member of Technical Staff, Sandia National Laboratories (Livermore, CA), 1988-1997

Areas of Interest

  1. Materials Design & Discovery
  2. Materials Theory, Computational materials science, and algorithms 
  3. Thermodynamics, mechanics, and chemistry of materials via electronic-structure methods

Honors and Awards

  • Thesis Research Fellowship, Oak Ridge National Laboratory (1983-1984)
  • National Research Council Post-Doctoral Fellow (1987-1988)
  • Award for Excellence, Sandia National Laboratories (1993)
  • Editorial Board, “Methods in Materials Science” (1997)
  • North Atlantic Treaty Organization (AGARD) Invited Lecturer (1997)
  • Member, Materials Science Critical Technology Sector/Phase Transitions, ASM (2000-2010)
  • Collins Scholar, Academy for Excellence in Engineering Education, University of Illinois-UC (2000)
  • Fellow, American Physical Society (2003)
  • Xerox Award for Faculty Research, University of Illinois-Urbana-Champaign (2004)
  • Listed in Who’s Who in America (2005)
  • Bliss Faculty Scholar, University of Illinois-Urbana-Champaign (2005-2009)
  • Member-at-Large (elected), Division of Computational Physics, American Physical Society (2005-2008)
  • Silver “Humie” Award, with student K. Sastry, human competitive award at the Genetic and Evolutionary Computation Conference and Best Paper in Real World Applications track (2006)
  • Chair-Elect, Division of Computational Physics, American Physical Society (2008-2010)
  • NCSA Faculty Fellow, University of Illinois-Champaign (2009)
  • Ivan Racheff Professor of Materials Science, University of Illinois-Urbana-Champaign (2009-2010)
  • DoE Hydrogen Program 2010 “Special Recognition Award” for Metal-Hydride Center of Excellence “In Recognition of Outstanding Contributions to the Department of Energy
  • Inviteé Professor, École Centrale Paris (2010-2013)
  • Special Editor, Computer Physics Communication (2010-2012)
  • Excellence in Reviewing, Acta Materialia (2015)
  • Ames Laboratory Inventor Incentive Award (2019): Polymers for Caloric Applications
  • F. Wendell Miller Professor of Energy Science, Iowa State University (2010-2021)
  • Anson Marston Distinguished Professor of Engineering, Iowa State University (2021-current)
  • Excellence in Reviewing, Acta Materialia (2022)


2024 Selected

Gaoyuan Ouyang, Olena Palasyuk; Prashant Singh; Pratik K. Ray; Vinay Deodeshmukh; Jun Cui; Duane D. Johnson; Matthew J. Kramer, “Predictive design of novel nickel-based superalloys beyond Haynes 282,” Acta Mater. 275, 120045-10 (2024).         10.1016/j.actamat.2024.120045

Anand P.S. Gaur, Renu Choudhary, Binzhi Liu, Yaroslav Mudryk, Duane D. Johnson, Jun Cui and Xiaoli Tan*, “Antiferroelectric Ceramics for Energy-Efficient Capacitors by Theory-Guided Discovery,” Advanced Materials 2312856-8 (2024).          10.1002/adma.202312856

Prashant Singh, Duane D. Johnson, Jordan Tiarks, Emma M.H. White, Andrew Kustas, Jonathan Pegues, Morgan R. Jones, Hannah Lim, Frank W. DelRio, Jay D. Carroll, Gaoyuan Ouyang, Michael J. Abere, Rameshawari Naorem, Hailong Huang, Trevor M. Reidemann, Paul G. Kotula, Iver E. Anderson, and Nicolas Argibay, “Theory-Guided Design of Duplex-Phase Multi-Principal-Element Alloys,” Acta Mater. 272, 119952 (2024).   10.1016/j.actamat.2024.119952

Prince Sharma, Duane D Johnson; Ganesh Balasubramanian; Prashant Singh, “Unraveling the connection of electronic and phononic structure with mechanical properties of commercial AZ80 alloy,” Mater. Letts. 366, 136501 (2024).     10.1016/j.matlet.2024.136501

Prashant Singh, Tyler Del Rose, Yaroslav Mudryk, Vitalij K. Pecharsky, Duane D. Johnson, “Designed metal-insulator transition in low-symmetry magnetic intermetallics,” Phys. Rev. B 109 (2024) 064207-9.   10.1103/PhysRevB.109.064207

C. Ritter, D.H. Ryan, A. Provino, and G. Lamura, Y. Mudryk, R.K. Chouhan, P. Singh, Duane D. Johnson, V.K. Pecharsky, and P. Manfrinetti*, “Magnetic ordering in Eu2In and Eu2Sn compounds,” Journal of Alloys & Compounds 980 (2024) 173573. 10.1016/j.jallcom.2024.173573          Special JALCOM honoring Vitalij Pecharsky, my friend.

Kong, Seongyoung; Singh, P.; Sarkar, A.; Viswanathan, G.; Kolen’ko, Yury V.; Mudryk, Y.; Johnson, Duane D.; and Kovnir*, Kirill, “Enhancing properties with distortions: A comparative study of two iron-phosphide Fe2P polymorphs,” Chemistry of Materials 36 (2024) 1665-1677.  10.1021/acs.chemmater.3c03003

Thierry Auger, Lin-Lin Wang, Duane D. Johnson, and X. Gong, “First-principles study of grain boundary wetting in Fe-Σ5(013)[100] tilt boundary,” Acta Materialia 265 (2024) 119635-8. 10.1016/j.actamat.2023.119635



“Rapid discovery of high hardness multi-principal-element alloys using a generative adversarial network model,” Acta Materialia 257, 119177 (2023).   https://doi.org/10.1016/j.actamat.2023.119177

“Interplay between Kondo and Magnetic interactions in Pr0.75Gd0.25ScGeH,” Journal of Alloys & Compound (JALCOM) 966, 171351 (2023).  https://doi.org/10.1016/j.jallcom.2023.171351

“Design of refractory multi-principal-element alloys for high-temperature applications,” npj Comput. Mater. 9, 141 (2023).  https://doi.org/10.1038/s41524-023-01095-4 

 A ductility metric for refractory-based multi-principal-element alloys,” Acta Materialia 257, 119104 (2023).   https://doi.org/10.1016/j.actamat.2023.119104 

 “Probing of the non-innocent role of P in transition-metal phosphide HER electrocatalysts via replacement with electropositive Si,” Chemistry of Materials 35, 5300-5310 (2023).  https://doi.org/10.1021/acs.chemmater.3c00460

“Orientation Dependence of the Effect of Short-Range Ordering on the Plastic Deformation of a Medium Entropy Alloy,” Materials Science & Engineering A 888, 145309 (2023).  https://doi.org/10.1016/j.msea.2023.145309 

 “Universal maximum strength of solid metals and alloys,” Phys. Rev. Lett. 130, 166101 (2023). https://doi.org/10.1103/PhysRevLett.130.166101 

“Accurate prediction of short-range order and its effect on thermodynamic, structural, and mechanical properties of disordered alloys: exemplified in archetypal Cu3Au,” Materials Today Communications 35, 106214 (2023).   https://doi.org/10.1016/j.mtcomm.2023.106214

“Bayesian Optimization with Active Learning of Design Constraints using an Entropy-based Approach,” npj Computational Materials 9: 49 (2023). https://doi.org/10.1038/s41524-023-01006-7 

 “High-throughput exploration of WMoVTaNbAl refractory multi-principal-element alloys under multiple-property constraints,” Acta Materialia 248, 118784 (2023).    https://doi.org/10.1016/j.actamat.2023.118784 

 “High-Mass loading of flower-like NiMoS2 microspheres toward efficient intercalation pseudocapacitive electrode,” ACS Applied Energy Materials 2c03257 (2023).  https://doi.org/10.1021/acsaem.2c03257 

 Oxidation Mechanism in a Refractory Multi-Principal-Element Alloy at High Temperature,” Acta Materialia 246, 118719-10 (2023)https://doi.org/10.1016/j.actamat.2023.118719 


“Extreme Hardness at High Temperature with a Lightweight Additively Manufactured Multi-Principal-Element Superalloy,” Applied Materials Today 29, 101669 (2022). https://doi.org/10.1016/j.apmt.2022.101669    

“Multi-Objective Materials Bayesian Optimization with Active Learning of Design Constraints: Design of Ductile Refractory Multi-Principal-Element Alloys,” Acta Materialia 236, 118133 (2022). https://doi.org/10.1016/j.actamat.2022.118133

“Distilling physical origins of hardness in multi-principal element alloys directly from ensemble neural network models,” npj Computational Materials 8, 153 (2022). https://doi.org/10.1038/s41524-022-00842-3     

“Vacancy formation energies and migration barriers in multi-principal-element alloys,”  Acta Materialia 226, 117611-9 (2022).    /10.1016/j.actamat.2021.117611     

“Between harmonic crystal and glass: solids with dimpled potential-energy surfaces having multiple local energy minima,” Crystals 12 (1), 84-19 (2022).    /10.3390/cryst12010084       

“Effect of substitutional doping and disorder on the phase stability, magnetism, and half-metallicity of Heusler alloys,” Acta Materialia 225, 117477 (2022).   /10.1016/j.actamat.2021.117477    

“Grain-size effects on the deformation in nanocrystalline multi-principal-element alloys,” Materials Chemistry and Physics 277, 125546-8 (2022). /10.1016/j.matchemphys.2021.125546

“Towards Stacking Fault Energy Engineering in FCC High-Entropy Alloys,” Acta Materialia 224, 117472-16 (2022).      /10.1016/j.actamat.2021.117472   


“Effect of electric hysteresis on fatigue behavior in antiferroelectric bulk ceramics under bipolar loading,” Mater. Chem. C 9, 15542-15551 (2021). /10.1039/D1TC03520G

“Pseudo-elastic deformation in Mo-based refractory multi-principal-element alloys,” Acta Materialia 220, 117299 (2021).     /10.1016/j.actamat.2021.117299   

“Martensitic phase transformation in Fe40Mn40Co10Cr10 high-entropy alloy,” Phys. Rev. Lett. 127, 115704 (2021).   10.1103/PhysRevLett.127.115704     

“Designing order-disorder transformation in high-entropy ferritic steels,” J. Materials Research  (2021), 1-9.  /10.1557/s43578-021-00336-w

“Machine-Learning Assisted Prediction of the Young’s Modulus of Compositionally Complex Alloys”, Scientific Reports (Nature) 11, 17149 (2021).  /10.1038/s41598-021-96507-0    

“CoCrFeNi high-entropy alloy as enhanced hydrogen evolution catalyst in acidic solution,”  J. Phys. Chem. C 125, 17008 (2021).     /10.1021/acs.jpcc.1c03646

“Neural-networks model for force prediction in multi-principal-element alloys,” Comput. Mater. Sci. 198, 110693 (2021).   /10.1016/j.commatsci.2021.110693  

“Effect of electric hysteresis on fatigue behavior in antiferroelectric bulk ceramics under bipolar loading,” Mater. Chem. C 9, 15542-15551 (2021). 10.1039/D1TC03520G

“Machine-learning-guided descriptor selection for predicting corrosion resistance in multi-principal-element alloys”,  NPJ Mat. Degrad. (2021).

“Pseudo-elastic deformation in Mo-based refractory multi-principal-element alloys,” Acta Materialia 220, 117299 (2021).        /10.1016/j.actamat.2021.117299    

“Enhanced Oxidation Resistance of (Mo95W5)85Ta10(TiZr)5 Refractory Metal Multi-Principal Element Alloy up to 1300°C”, Acta Materialia 215, 117114 (2021).   10.1016/j.actamat.2021.117114

“Accelerating the computational modeling and design of high-entropy alloys,” Nature Computational Science 1, 54-61 (2021). 10.1038/s43588-020-00006-7


“Vacancy-mediated complex phase selection in high entropy alloys,” Acta Materialia 194, 540-546 (2020).  10.1016/j.actamat.2020.04.063

“First-principles prediction of incipient order in arbitrary high-entropy alloys: exemplified in Ti0.25CrFeNiAlx,” Acta Materialia 189, 248-254 (2020).   10.1016/j.actamat.2020.02.063

“Crystallographic Facet Selective HER Catalysis: Exemplified in FeP and NiP2 Single Crystals,” Chem. Sci. 11, 5007-5016 (2020).  10.1039/d0sc00676a

Exploring the role of electronic structure on photo-catalytic behavior of carbon-nitride (C3N4) polymorphs,”  Carbon 168, 125-134 (2020).    /10.1016/j.carbon.2020.04.008  


Designed materials with a giant magnetocaloric effect near room temperature,”  Acta Materialia 180, 341-348 (2019).  10.1016/j.actamat.2019.09.023

“Reliable thermodynamic estimators for screening caloric materials,” Alloys & Compounds (JALCOM) 802, 712-722 (2019).    10.1016/j.jallcom.2019.06.150

“Tuning phase-stability and short-range ordering through Al-doping in (CoCrFeMn)1-xAlx (x ≤ 20) high entropy alloys,” Phys. Rev. Mater. 3, 075002-9 (2019).    10.1103/PhysRevMaterials.3.075002  

“Revealing the nature of the antiferro-quadrupolar ordering in Cerium Hexaboride (CeB6),” Phys. Rev. Lett. 122, 076401-6 (2019). 10.1103/PhysRevLett.122.076401


“Lattice instability during solid-solid structural transformations under general applied stress tensor: example of Si I to Si II with metallization,” Phys. Rev. Lett. 121, 165701 (2018). 10.1103/PhysRevLett.121.165701

“Design of high-strength refractory complex solid-solution alloys,” npj Computational Materials 4:16 (2018). 10.1038/s41524-018-0072-0  

“Dirac Node Arcs in PtSn4,” Nature Physics 12, 667-671 (2016). 0.1038/nphys3712

“A generalized solid-state nudged-elastic-band method,” J. Chem. Phys. 136, 074103-8 (2012). 10.1063/1.3684549

Primary Strategic Research Area

Advanced Materials & Manufacturing