Researcher profile · Semantic Scholar

B. Puchala

h-index: 21
Works: 42
Citations: 1,561

Most-cited papers

Thermodynamics of the Zr-O system from first-principles calculations
B. Puchala, Anton Van der Ven
2013218 citations
Semantic Scholar
Collecting and analyzing microstructures in three dimensions: A fully automated approach
J. Spowart, Herbert E. Mullens, B. Puchala
2003155 citations
Semantic Scholar
First-Principles Statistical Mechanics of Multicomponent Crystals
Anton Van der Ven, John C. Thomas, B. Puchala, A. Natarajan
2018Annual review of materials research (Print)146 citations Open access
Semantic Scholar
On the early stages of precipitation in dilute Mg–Nd alloys
A. Natarajan, E. Solomon, B. Puchala, E. Marquis +1 more
2016130 citations Open access
Semantic Scholar
Dissolution enables dolomite crystal growth near ambient conditions
Joonsoon Kim, Yuki Kimura, B. Puchala, T. Yamazaki +2 more
2023Science120 citations
Semantic Scholar
An energy basin finding algorithm for kinetic Monte Carlo acceleration.
B. Puchala, M. Falk, K. Garikipati
2010Journal of Chemical Physics97 citations
Semantic Scholar
The Materials Commons: A Collaboration Platform and Information Repository for the Global Materials Community
B. Puchala, G. Tarcea, E. Marquis, M. Hedstrom +2 more
201689 citations
Semantic Scholar
Stable p-type conduction from Sb-decorated head-to-head basal plane inversion domain boundaries in ZnO nanowires.
A. Yankovich, B. Puchala, Fei Wang, Jung-Hun Seo +5 more
2012Nano letters (Print)66 citations
Semantic Scholar
CASM — A software package for first-principles based study of multicomponent crystalline solids
B. Puchala, John C. Thomas, A. Natarajan, J. Goiri +3 more
2023Computational materials science63 citations Open access
Semantic Scholar
Ab initio study of the strain dependent thermodynamics of Bi doping in GaAs
H. Jacobsen, B. Puchala, T. Kuech, D. Morgan
201249 citations
Semantic Scholar
Misfit-driven β′′′ precipitate composition and morphology in Mg-Nd alloys
S. DeWitt, E. Solomon, A. Natarajan, V. Araullo-Peters +7 more
201746 citations Open access
Semantic Scholar
PRISMS: An Integrated, Open-Source Framework for Accelerating Predictive Structural Materials Science
L. Aagesen, J. F. Adams, J. Allison, W. Andrews +36 more
2018JOM42 citations Open access
Semantic Scholar
Symmetry-adapted order parameters and free energies for solids undergoing order-disorder phase transitions
A. Natarajan, John C. Thomas, B. Puchala, Anton Van der Ven
201739 citations Open access
Semantic Scholar
Distortion-stabilized ordered structures in A2BB’O7 mixed pyrochlores
G. Pilania, B. Puchala, B. Uberuaga
2019npj Computational Materials30 citations Open access
Semantic Scholar
The continuum elastic and atomistic viewpoints on the formation volume and strain energy of a point defect
Krishna Garikipati, M. Falk, M. Bouville, B. Puchala +1 more
200530 citations Open access
Semantic Scholar
Stable interstitial dopant–vacancy complexes in ZnO
B. Puchala, D. Morgan
201227 citations
Semantic Scholar
A comparison of Redlich-Kister polynomial and cubic spline representations of the chemical potential in phase field computations
G. Teichert, N. S. H. Gunda, S. Rudraraju, A. Natarajan +3 more
201626 citations Open access
Semantic Scholar
Resolving phase stability in the Ti-O binary with first-principles statistical mechanics methods
N. S. H. Gunda, B. Puchala, Anton Van der Ven
201824 citations
Semantic Scholar
High-temperature stability of δ′-ZrO
Min-Hua Chen, B. Puchala, Anton Van der Ven
201524 citations Open access
Semantic Scholar
Atomistic modeling of as diffusion in ZnO
B. Puchala, D. Morgan
201223 citations
Semantic Scholar
Counterintuitive Reconstruction of the Polar O-Terminated ZnO Surface with Zinc Vacancies and Hydrogen.
R. Jacobs, Bing Zheng, B. Puchala, P. Voyles +2 more
2016Journal of Physical Chemistry Letters21 citations Open access
Semantic Scholar
CASM Monte Carlo: Calculations of the thermodynamic and kinetic properties of complex multicomponent crystals
B. Puchala, John C. Thomas, A. Van der Ven
2023Computational materials science13 citations Open access
Semantic Scholar
Ti- and Zr-based metal-air batteries
Anton Van der Ven, B. Puchala, T. Nagase
201313 citations
Semantic Scholar
Ab initio energetics of charge compensating point defects: A case study on MgO
Shih-Kang Lin, Chao-Kuei Yeh, B. Puchala, Yueh-Lin Lee +1 more
201312 citations
Semantic Scholar
A-Site Diffusion in La1 − xSrxMnO3: Ab Initio and Kinetic Monte Carlo Calculations
B. Puchala, Yueh-Lin Lee, D. Morgan
201312 citations Open access
Semantic Scholar
Promoting and Enabling Reproducible Data Science Through a Reproducibility Challenge
J. Liu, Jacob Carlson, Josh Pasek, B. Puchala +2 more
2022Harvard data science review11 citations Open access
Semantic Scholar
Chemomechanics in alloy phase stability
Sesha Sai Behara, John C. Thomas, B. Puchala, Anton Van der Ven
2023PHYSICAL REVIEW MATERIALS8 citations Open access
Semantic Scholar
Polymer Electrolyte Fuel Cell Lifetime Limitations: The Role of Electrocatalyst Degradation
D. Myers, X. Wang, N. Kariuki, Stacy DeCrane +24 more
20126 citations Open access
Semantic Scholar
PEMFC Nanoparticle Catalyst Dealloying from Kinetic Monte Carlo Simulations
B. Puchala, Shih-Kang Lin, Li-Gen Wang, D. Morgan
20135 citations Open access
Semantic Scholar
Erratum: Stable interstitial dopant-vacancy complexes in ZnO (Physical Review B - Condensed Matter and Materials Physics (2012) 85 (195207))
B. Puchala, D. Morgan
20134 citations Open access
Semantic Scholar
The Materials Commons Data Repository
G. Tarcea, B. Puchala, Tracy Berman, G. Scorzelli +3 more
2022IEEE International Conference on e-Science3 citations
Semantic Scholar
CASMcode: v0.1.0
Casm Developers, M. Radin, Min-Hua Chen, J. Goiri +7 more
20153 citations
Semantic Scholar
A-Site Diffusion in La1-xSrxMnO3: Ab Initio and Kinetic Monte Carlo Calculations
B. Puchala, Yueh-Lin Lee, D. Morgan
20133 citations
Semantic Scholar
Modeling Defect Mediated Dopant Diffusion in Silicon.
B. Puchala
20092 citations
Semantic Scholar
Erratum: Ab initio energetics of charge compensating point defects: A case study on MgO (Comput. Mater. Sci. (2013) 73 (41-55))
Shih-Kang Lin, Chao-Kuei Yeh, B. Puchala, Yueh-Lin Lee +2 more
20151 citations
Semantic Scholar
Diffusion in interstitial compounds having the rocksalt crystal structure
Jonathan Li, B. Puchala, A. Van der Ven
2025PHYSICAL REVIEW MATERIALS0 citations
Semantic Scholar
The Materials Commons: A Collaboration Platform and Information Repository for the Global Materials Community
B. Puchala, G. Tarcea, Emmanuelle A. Marquis, M. Hedstrom +2 more
2016JOM0 citations
Semantic Scholar
IntegrationTools: v1.0.1
B. Puchala
20150 citations
Semantic Scholar
Erratum: Atomistic modeling of As diffusion in ZnO (Physical Review B - Condensed Matter and Materials Physics (2012) 85 (064106))
B. Puchala, D. Morgan
20130 citations Open access
Semantic Scholar
Structural and Elemental Analysis of Heavily- Doped ZnO
A. Kvit, A. Yankovich, B. Puchala, D. Morgan +6 more
2012Microscopy and Microanalysis0 citations
Semantic Scholar
Accelerated Kinetic Monte Carlo Simulations of Vacancy-Mediated Arsenic Diffusion and Clustering in Silicon
B. Puchala, M. Falk, K. Garikipati
20090 citations
Semantic Scholar
Using Elasticity to Correct for Boundary Effects in Calculations of Stress-Diffusion Coupling Parameters
B. Puchala, M. Falk, K. Garikipati
20060 citations
Semantic Scholar

E. Marquis

×4

M. Falk×4

G. Tarcea×4

J. Allison×4

A. Van der Ven×4

Yueh-Lin Lee×4

John C. Thomas×3

E. Solomon×3