University at Buffalo (UB)
Wei Chen
PhD
Research Interests:
Data-driven and physics-based modeling of material systems; computational design of multi-principal element materials; materials informatics for accelerated materials and knowledge discovery
Publications
- Y. Liu, J. Ren, S. Guan, C. Li, Y. Zhang, S. Muskeri, Z. Liu, D. Y, Y. Chen, K. An, Y. Cao, W. Liu, Y. Zhu, W. Chen, S. Mukherjee, T. Zhu, and W. Chen, “Microstructure and mechanical behavior of additively manufactured CoCrFeMnNi highentropy alloys: Laser directed energy deposition versus powder bed fusion”, Acta Materialia, (2023). Accepted.
- G. Lin, Z. Zhang, Q. Ju, T. Wu, C.U. Segre, W. Chen, H. Peng, H. Zhang, Q. Liu, Z. Liu, Y. Zhang, S. Kong, Y. Mao, W. Zhao, K. Suenaga, F. Huang, and J. Wang, “Bottom-up evolution of perovskite clusters into high-activity rhodium nanoparticles toward alkaline hydrogen evolution”, Nature Communications, 14, 280, (2023)
- X. Wang, R.R. De Vecchis, C. Li, H. Zhang, X. Hu, S. Sridar, Y. Wang, W. Chen*, and W. Xiong*, “Design strength-ductility synergy of metastable high-entropy alloys by tailoring unstable fault energies”, Science Advances, 8, 36, eabo7333, (2022)
- G. Yan, G. Kim, R. Yuan, E. Hoenig, F. Shi, W. Chen, Y. Han, Q. Chen, J.-M. Zuo, W . Chen , and C. Liu, “The role of solid solutions in iron phosphate-based electrodes for selective electrochemical lithium extraction”, Nature Communications, 13, 4579, (2022)
- J. Zhang, C. Cai, G. Kim, Y. Wang, and W. Chen, “Composition design of high-entropy alloys with Deep Sets learning”, npj Computational Materials, 8, 89, (2022)
- J. Wei, L. Shaw, and W. Chen, “First-principles comparative study of Cr migration in O3 and O/P hybridphased NaCrO2”, Physical Review Materials, 6, 095403, (2022)
- X. Wang, F. Jahanbazi, J. Wei, C.U. Segre, W. Chen, and Y. Mao, “Charge transfer-triggered Bi3+ near-infrared emission in Y2Ti2O7 for dualmode temperature sensing”, ACS Applied Materials & Interfaces, 14, 32, 36834–36844, (2022)
- R. Feng, G. Kim, D. Yu, Y. Chen, W. Chen, P.K. Liaw, and K. An, “Elastic behavior of binary and ternary refractory multi-principal-element alloys”, Materials & Design, 219, 110820, (2022)
- X. Kang, L. Kang, W. Chen, and X. Deng, “A generative approach to joint modeling of quantitative and qualitative responses”, Journal of Multivariate Analysis, 90, 104952, (2022)
- G. Kim, Q. Gu, P. Nash, and W. Chen, “Site preferences and ordering in Nb(Al1-xMx)2 (M= Ni or Cu) ternary Laves phases”, Acta Materialia, 208, 116733, (2021)
- C. Hu, E. Song, M. Wang, W. Chen, F. Huang, Z. Feng, J. Liu, and J. Wang, “Partial‐single‐atom, partial‐nanoparticle composites enhance water dissociation for hydrogen evolution”, Advanced Science, 8 (2), 2001881, (2021)
- C. Lee, Y. Chou, G. Kim, M.C. Gao, K. An, J. Brechtl, C. Zhang, W. Chen, J.D. Poplawsky, G. Song, Y. Ren, Y.-C. Chou, and P.K. Liaw, “Lattice‐distortion‐enhanced yield strength in a refractory high‐entropy alloy”, Advanced Materials, 32 (49), 2004029, (2020)
- Y. Zhou*, E. Song*, W. Chen*, C.U. Segre, J. Zhou, Y.-C. Lin, C. Zhu, R. Ma, P. Liu, S. Chu, T. Thomas, M. Yang, Q. Liu, K. Suenaga, Z. Liu, J. Liu, and J. Wang, “Dual‐metal interbonding as the chemical facilitator for single‐atom dispersions”, Advanced Materials, 32 (46), 2003484, (2020)
- C. Hu, J. Hong, J. Huang, W. Chen, C.U. Segre, K. Suenaga, W. Zhao, F. Huang, and J. Wang, “Surface decoration accelerates the hydrogen evolution kinetics of a perovskite oxide in alkaline solution”, Energy and Environmental Science, 13, 4249–4257, (2020)
- C. Lee, G. Kim, Y. Chou, B.L. Musicó, M.C. Gao, K. An, G. Song, Y.-C. Chou, V. Keppens, W. Chen, and P.K. Liaw, “Temperature dependence of elastic and plastic deformation behavior of a ductile refractory high-entropy alloy”, Science Advances, 6 (37), eaaz4748, (2020)
- Q. Ju, R. Ma, Y. Hu, B. Guo, Q. Liu, T. Thomas, T. Zhang, M. Yang, W. Chen, and J. Wang, “Highly localized C-N2 sites for efficient oxygen reduction”, ACS Catalysis, 10 (16), 9366-9375, (2020)
- J. Wei, L. Shaw, and W. Chen, “First-principles prediction of Na diffusivity in doped NaCrO2 layered cathode materials with van der Waals interactions”, Journal of Physical Chemistry C, 124 (23), 12239–12248, (2020)
- M. Esmaeilirad, A. Kondori, B. Song, A.R. Belmonte, J. Wei, K. Kucuk, S.M. Khanvilkar, E. Efimoff, W. Chen, C.U. Segre, R. Shahbazian-Yassar, and M. Asadi, “Oxygen functionalized copper nanoparticles for solar-driven conversion of carbon dioxide to methane”, ACS Nano, 14 (2), 2099–2108, (2020)
- G. Kim, H. Diao, C. Lee, A.T. Samaei, T. Phan, M. de Jong, K. An, D. Ma, P.K. Liaw, and W. Chen, “First-principles and machine learning predictions of elasticity in severely lattice-distorted high entropy alloys with experimental validation”, Acta Materialia, 181, 124–138, (2019)
- L. Li, G. Kim, W. Chen, and S. Tin, “Effect of phosphorus on the phase stability of a high refractory content powder-processed Ni-base superalloy”, Metallurgical and Materials Transaction A, 50, 5459–5475, (2019)
- A. Kondori, M. Esmaeilirad, A. Baskin, B. Song, J. Wei, W. Chen, C.U. Segre, R. Shahbazian-Yassar, D. Prendergast, and M. Asadi, “Identifying catalytic active sites of trimolybdenum phosphide (Mo3P) for electrochemical hydrogen evolution”, Advanced Energy Materials, 9 (22), 1900516, (2019)
- M. Luo, A.L. Ortiz, F. Guo, Z. Shi, L. Li, Y. Ren, X. Zhang, Z. Chen, L.L. Shaw, and W . Chen , “Mechanical activation enhanced solid-state synthesis of NaCrO2 cathode material”, Materialia, 5, 100172, (2019)
- S. Antonov, W. Chen, S. Lu, D. Isheim, D.N. Siedman, Q. Feng, E. Sun, and S. Tin, “The effect of phosphorus on the formation of grain boundary laves phase in highrefractory content Ni-based superalloys”, Scripta Materialia, 161, 44–48, (2019)
- S.Y. Chen, Y. Tong, K.K. Tseng, J.W. Yeh, J.D. Poplawsky, J.C. Wen, M.C. Gao, G. Kim, W. Chen, Y. Ren, R. Feng, W.D. Li, and P.K. Liaw, “Phase transformations of HfNbTaTiZr high-entropy alloy at intermediate temperatures”, Scripta Materialia, 158, 50–56, (2019)
- C. Lee, G. Song, M.C. Gao, R. Feng, P. Chen, J. Brechtl, Y. Chen, K. An, W. Guo, J.D. Poplawsky, S. Li, A.T. Samaei, W. Chen, A. Hu, H. Choo, and P.K. Liaw, “Lattice distortion in a strong and ductile refractory high-entropy alloy”, Acta Materialia, 160, 158–172, (2018)
- S. Antonov, W. Chen, J. Huo, Q. Feng, D. Isheim, D.N. Seidman, E. Sun, and S. Tin, “MC carbide characterization in high refractory content powder-processed Ni-based superalloys”, Metallurgical and Materials Transactions A, 49, 2340–2351, (2018)
- G. Kim, S.V. Meschel, P. Nash, and W. Chen, “Experimental formation enthalpies for intermetallic phases and other inorganic compounds”, Scientific Data, 4, 170162, (2017)
- Q. Yan, J. Yu, S.K. Suram, L. Zhou, A. Shinde, P.F. Newhouse, W. Chen, G. Li, K.A. Persson, J.M. Gregoire, and J.B. Neaton, “Solar fuels photoanode materials discovery by integrating high-throughput theory and experiment", Proceedings of the National Academy of Sciences, 114, 3040–3043, (2017)
- F. Ricci, W. Chen, U. Aydemir, G.F. Snyder, G-M Rignanese, A. Jain, and G. Hautier, “An ab initio electronic transport database for inorganic materials”, Scientific Data, 4, 170085, (2017)
- T. Yi, W. Chen, L. Cheng, R. Bayliss, F. Lin, M. Plews, D. Nordlund, M. Doeff, K. Persson, and J. Cabana, “Investigating the intercalation chemistry of alkali ions in fluoride perovskites”, Chemistry of Materials, 29, 1561–1568, (2017)
- I. Petousis, D. Mrdjenovich, E. Ballouz, M. Liu, D. Winston, W. Chen, T. Graf, T.D. Schladt, K.A. Persson, and F.B. Prinz, “High-throughput screening of inorganic compounds for the discovery of novel dielectric and optical materials”, Scientific Data, 4, 160134, (2017)
- B. Medasani, A. Gamst, H. Ding, W. Chen, K.A. Persson, M. Asta, A. Canning, and M. Haranczyk, “Predicting defect behavior in B2 intermetallics by merging ab initio modeling and machine learning”, npj Computational Materials, 2, 1, (2016)
- M. de Jong*, W. Chen*, R. Notestine, K. Persson, G. Ceder, A. Jain, M. Asta, and A. Gamst, “A statistical learning framework for materials science: Application to elastic moduli of knary inorganic polycrystalline compounds”, Scientific Reports, 6, 34256, (2016)
- W. Chen, J.H. Pöhls, G. Hautier, D. Broberg, S. Bajaj, U. Aydemir, Z.M. Gibbs, H. Zhu, M. Asta, G.J. Snyder, B. Meredig, M.A. White, K. Persson, and A. Jain, “Understanding thermoelectric properties from high-throughput calculations: Trends, insights, and comparisons with experiment”, Journal of Materials Chemistry C, 4, 4414–4426, (2016)
- I. Petousis, W. Chen, G. Hautier, T. Graf, T.D. Schladt, K.A. Persson, and F.B Prinz, “Benchmarking density functional perturbation theory to enable high-throughput screening of materials for dielectric constant and refractive index”, Physical Review B, 93, 115151, (2016)
- U. Aydemir, J-H. Pöhls, H. Zhu, G. Hautier, S. Bajaj, Z.M. Gibbs, W. Chen, G. Li, S. Ohno, D. Broberg, S.D. Kang, M.A. White, M. Asta, G. Ceder, K. Persson, A. Jain, and G.J. Snyder, “YCuTe2: A member of a new class of thermoelectric materials with CuTe4-based layered structure”, Journal of Materials Chemistry A, 4, 2461–2472, (2016)
- A. Yan, W. Chen, C. Ophus, J. Ciston, Y. Lin, K. Persson, and A. Zettl, “Identifying different stacking sequences in few-layer CVD-grown MoS2 by low-energy atomic-resolution scanning transmission electron microscopy”, Physical Review B: Rapid Communications, 93, 041420(R), (2016)
- M. Yin, P. Nash, W. Chen, and S. Chen, “Standard enthalpies of formation of selected Ni2YZ Heusler compound”, Journal of Alloys and Compounds, 660, 258–265, (2016)
- M. de Jong, W. Chen, H. Geerlings, M. Asta, and K.A. Persson, “A database to enable discovery and design of piezoelectric materials”, Scientific Data, 2, 150053, (2015)
- M. de Jong*, W. Chen*, T. Angsten, A. Jain, R. Notestine, A. Gamst, M. Sluiter, C.K. Ande, S. van der Zwaag, J.J. Plata, C. Toher, S. Curtarolo, G. Ceder, K. A. Persson, and M. Asta, “Charting the complete elastic properties of inorganic crystalline compounds”, Scientific Data, 2, 150009, (2015) % Highly Cited Paper (top 1% in Physics), Clarivate Essential Science Indicators.
- W. Sun, S. Jayaraman, W. Chen, G. Ceder, and K.A. Persson, “Nucleation of metastable aragonite CaCO3 in seawater”, Proceedings of the National Academy of Sciences, 112 (11), 3199–3204, (2015)
- H. Zhu, G. Hautier, U. Aydemir, Z.M. Gibbs, G. Li, S. Bajaj, J.H. Pöhls, D. Broberg, W . Chen , A. Jain, M.A. White, M. Asta, G.J. Snyder, K. Persson, and G. Ceder, “Computational and experimental investigation of TmAgTe2 and XYZ2 compounds, a new group of thermoelectric materials identified by first-principles high-throughput screening”, Journal of Materials Chemistry C, 3, 10554–10565, (2015)
- L. Cheng, W. Chen, M. Kunz, K.A. Persson, N. Tamura, G. Chen, and M. Doeff, “Effect of surface microstructure on electrochemical performance of garnet solid electrolytes”, ACS Applied Materials & Interfaces, 7 (3), 2073–2081, (2015)
- J. Yu, Q. Yan, W. Chen, A. Jain, J.B. Neaton, and K.A. Persson, “First-principles study of electronic structure and photocatalytic properties of MnNiO3 as an alkaline oxygen-evolution photocatalyst”, Chemical Communications, 51, 2867–2870, (2015)
- A. Jain, S.P. Ong, W. Chen, B. Medasani, X. Qu, M. Kocher, M. Brafman, G. Petretto, G.M. Rignanese, G. Hautier, D. Gunter, and K. Persson, “Fireworks: a dynamic workflow system designed for high-throughput applications”, Concurrency and Computation: Practice and Experience, 27 (17), 5037–5059, (2015) % Highly Cited Paper (top 1% in Computer Science), Clarivate Essential Science Indicators.
- L. Cheng, C.H. Wu, A. Jarry, W. Chen, Y. Ye, J. Zhu, R. Kostecki, K. Persson, J. Guo, M. Salmeron, G. Chen, and M. Doeff, “Interrelationships among grain size, surface composition, air stability, and interfacial resistance of Al-Substituted Li7La3Zr2O12 solid electrolytes”, ACS Applied Materials & Interfaces, 7 (32), 17649–17655, (2015)
- H. Ding, B. Medasani, W. Chen, K.A. Persson, M. Haranczyk, and M. Asta, “PyDII: A python framework for computing equilibrium intrinsic point defect concentrations and extrinsic solute site preferences in intermetallic compounds”, Computer Physics Communications, 193, 118–123, (2015)
- W. Chen, W.F. Schneider, and C. Wolverton, “Trends in atomic adsorption on Pt3M(111) transition metal bimetallic surface overlayers”, Journal of Physical Chemistry C, 118 (16), 8342–8349, (2014)
- L. Cheng, E.J. Crumlin, W. Chen, R. Qiao, H. Hou, S.F. Lux, V. Zorba, R. Russo, R. Kostecki, Z. Liu, K. Persson, W. Yang, J. Cabana, T. Richardson, G. Chen, and M. Doeff, “The origin of high electrolyte-electrode interfacial resistances in lithium cells containing garnet type solid electrolytes”, Physical Chemistry Chemical Physics, 16, 18294–18300, (2014) % Highly Cited Paper (top 1% in Chemistry), Clarivate Essential Science Indicators.
- R. Qiao, I.T. Lucas, A. Karim, J. Syzdek, X. Liu, W. Chen, K. Persson, R. Kostecki, and W. Yang, “Distinct solid-electrolyte-interphases on Sn (100) and (001) electrodes studies by soft Xray spectroscopy”, Advanced Materials Interfaces, 1 (3), 1300115, (2014)
- A. Jain, S.P. Ong, G. Hautier, W. Chen, W.D. Richards, S. Dacek, S. Cholia, D. Gunter, D. Skinner, G. Ceder, and K.A. Persson, “The Materials Project: A materials genome approach to accelerating materials innovation”, APL Materials, 1, 011002, (2013) % Highly Cited Paper (top 1% in Materials Science), Clarivate Essential Science Indicators.
- W. Chen, P. Dalach, W.F. Schneider, and C. Wolverton, “Interplay between subsurface ordering, surface segregation and adsorption of ordered Pt-Ti (111) subsurface structures”, Langmuir, 28 (10), 4683–4693, (2012)
- D.J. Schmidt, W. Chen, C. Wolverton, and W.F. Schneider, “Performance of cluster expansions of coverage-dependent adsorption of atomic oxygen on Pt (111)”, Journal of Chemical Theory and Computation, 8 (1), 264–273, (2012)
- W. Chen, D. Schmidt, W.F. Schneider, and C. Wolverton, “First-principles cluster expansion study of missing-row reconstructions of fcc (110) surfaces”, Physical Review B, 83 (7), 075415, (2011)
- W. Chen, D. Schmidt, W.F. Schneider, and C. Wolverton, “Ordering and oxygen adsorption in Au-Pt/Pt (111) surface alloys”, Journal of Physical Chemistry C, 115 (36), 17915–17924, (2011)
- Z. Mao, W. Chen, D.N. Seidman, and C. Wolverton, “First-principles study of the nucleation and stability of ordered precipitates in ternary Al– Sc–Li alloys”, Acta Materialia, 59 (8), 3012–3023, (2011)
- Q. Liu, W. Chen, Q. Liu, L. Gui, L. Zhu and L. Wang, “Application of combinatorial materials approach for fast screening of Zn-Al alloy films”, Chinese Journal of Space Science, 29, 10, (2009)
- W. Chen, Q. Liu, Q. Liu, L. Zhu, and L. Wang, “A combinatorial study of the corrosion and mechanical properties of Zn–Al material library fabricated by ion beam sputtering”, Journal of Alloys and Compounds, 459 (1–2), 261-266 (2008)
- Q. Liu, W. Chen, Q. Liu, L. Gui, L. Zhu, and L. Wang. “Current development of combinatorial materials approach for fast discovering and screening of new alloy materials”, Science and Technology Review, 25, 64–68, (2007)
- W. Chen and J. Sun, “The electronic structure and mechanical properties of MgCu2 Laves phase compound”, Physica B: Condensed Matter, 382 (1–2), 279–284 (2006)
- W. Chen, “High-throughput computing for accelerated materials discovery” in Computational Materials System Design, edited by D. Shin and J. Saal, 169–191, Springer, (2018)
- J. Yan, L. Desborough, and W. Chen, “Continuous glucose monitoring (CGM) data mining for sensor glucose prediction: A machine learning perspective”, Diabetes, 64, A243 (2015)
- “Data-Driven Predictive Design of High-Entropy Alloys for Tailored Structure-Property Relationship”, Department of Civil and Materials Engineering Seminar, University of Illinois Chicago, 2022, Chicago, IL
- “First-principles Design of High-entropy Alloys”, Physics Department Seminar, University of California Santa Cruz, 2022, Santa Cruz, CA 13
- “Data-driven design of refractory high-entropy alloys”, Telluride Workshop on New Experimental and Theoretical Developments in High-Entropy Materials, 2022, Telluride, CO
- “Data-driven composition design of high-entropy alloys”, Advances in Multi-Principal elements Alloys X, TMS, 2022, Anaheim, CA. “Data-driven design of refractory high-entropy alloys“, High Entropy Alloys IX, TMS, 2021, Virtual
- “First-principles design of high-entropy alloys”, Department of Mechanical and Industrial Engineering seminar, University of Massachusetts Amherst, 2020, Virtual
- “Quantifying short-range ordering in refractory high-entropy alloys”, High Entropy
- Alloys VIII, TMS, 2020, San Diego, CA.
- “Data-driven accelerated materials design with machine learning and high-throughput computing”, 3rd Forum of Materials Genome Engineering, 2019, Kunming, China
- “Understanding short-range ordering in high-entropy alloys”, High Entropy Alloys VII, TMS, 2019, San Antonio, TX
- “Data-driven accelerated materials discovery with high-throughput computing and statistical learning”, Department of Materials Science and Engineering seminar, Northwestern University, 2017, Evanston, IL
- “Elastic properties of high-entropy alloys from first-principles”, High-Entropy Alloys V, TMS, 2017, San Diego, CA
- “Data-driven accelerated materials discovery with high-throughput computing and statistical learning”, Materials Genome Initiative Center seminar, Shanghai Jiao Tong University, 2017, Shanghai, China
- “Data-driven accelerated materials discovery with high-throughput computing and statistical learning”, Shanghai Genome Institute seminar, Shanghai University, 2017, Shanghai, China
- “Data-driven accelerated materials discovery with high-throughput computing and statistical learning”, Shanghai Institute of Ceramics, Chinese Academy of Sciences, 2017, Shanghai, China
- “Data-driven accelerated materials discovery with high-throughput computing and statistical learning”, State Key Laboratory for Advanced Metals and Materials seminar, University of Science and Technology Beijing, 2017, Beijing, China
- “Intrinsic point defect in intermetallics: From computation to data mining”, Computational Thermodynamics and Kinetics, TMS, 2016, Nashville, TN
- “Accelerating Computational Materials Discovery via Data-driven Approaches: Integrated High-throughput Computing and Machine Learning”, Department of Materials and Science seminar, University of Wisconsin–Madison, 2015, Madison, WI
- “Accelerating Computational Materials Discovery via Data-driven Approaches”, Department of Materials and Science seminar, University of Alabama at Birmingham, 2015, Birmingham, AL.
- “The Materials Project and data-driven materials discovery”, NSF Scientific Software Innovation Institute for Advanced Analysis of X-Ray and Neutron Scattering Data: Theoretical Software and Analysis Tools and Software Integration for Scattering Science, University of Washington, 2015, Seattle, WA
- “First-principles study of ordering and adsorption on bimetallic surface alloys”, Idaho National Laboratory, 2012, Idaho Falls, IA