Selected Publications

2021

Integrated single-cell sequencing of 5-hydroxymethylcytosine and genomic DNA using scH\&G-seq
Chialastri, A., Wangsanuwat, C., & Dey, S. S. (2021). Integrated single-cell sequencing of 5-hydroxymethylcytosine and genomic DNA using scH\&G-seq. Star Protocols, 2, 101016.
Electronic properties of the topological kagome metals YV 6 Sn 6 and GdV 6 Sn 6
Pokharel, G., Teicher, S. M. L., Ortiz, B. R., Sarte, P. M., Wu, G., Peng, S., et al. (2021). Electronic properties of the topological kagome metals YV 6 Sn 6 and GdV 6 Sn 6. Physical Review B, 104, 235139.
Incorporation of Si and Sn donors in β-Ga2O3 through surface reconstructions
Wang, M., Mu, S., & Van de Walle, C. G. (2021). Incorporation of Si and Sn donors in β-Ga2O3 through surface reconstructions. Journal Of Applied Physics, 130, 185703.
How to construct cross-border cooperation? Local border traffic as a mechanism of shaping the external relations of the European Union and Schengen Area from the perspective of constructivism: the case of the Baltic Sea Region
egota, K. \.Z. \k. (2021). How to construct cross-border cooperation? Local border traffic as a mechanism of shaping the external relations of the European Union and Schengen Area from the perspective of constructivism: the case of the Baltic Sea Region. Journal Of Baltic Studies, 1\textendash21. https://doi.org/10.1080/01629778.2021.1925717
Hole Trapping at Acceptor Impurities and Alloying Elements in AlN
Lyons, J. L., & Van de Walle, C. G. (2021). Hole Trapping at Acceptor Impurities and Alloying Elements in AlN. Physica Status Solidi (Rrl)\Textendashrapid Research Letters. https://doi.org/10.1002/pssr.202100218
Gold-catalysed asymmetric net addition of unactivated propargylic C\textendashH bonds to tethered aldehydes
Li, T., Cheng, X., Qian, P., & Zhang, L. (2021). Gold-catalysed asymmetric net addition of unactivated propargylic C\textendashH bonds to tethered aldehydes. Nature Catalysis, 4, 164\textendash171. https://doi.org/10.1038/s41929-020-00569-8
GNNAdvisor: An Adaptive and Efficient Runtime System for $$GNN$$ Acceleration on GPUs
Wang, Y., Feng, B., Li, G., Li, S., Deng, L., Xie, Y., & Ding, Y. (2021). GNNAdvisor: An Adaptive and Efficient Runtime System for $$GNN$$ Acceleration on GPUs. Presented at the.
Elucidating the Impact of Mg Substitution on the Properties of NASICON-Na3+ yV2- yMgy (PO4) 3 Cathodes
Ghosh, S., Barman, N., Gonzalez-Correa, E., Mazumder, M., Zaveri, A., Giovine, R., et al. (2021). Elucidating the Impact of Mg Substitution on the Properties of NASICON-Na3+ yV2- yMgy (PO4) 3 Cathodes. Advanced Functional Materials, 2105463.
Emergence of Hexagonally Close-Packed Spheres in Linear Block Copolymer Melts
Zhang, C., Vigil, D. L., Sun, D., Bates, M. W., Loman, T., Murphy, E. A., et al. (2021). Emergence of Hexagonally Close-Packed Spheres in Linear Block Copolymer Melts. Journal Of The American Chemical Society.
Emergent Replica Conformal Symmetry in Non-Hermitian SYK $ _2 $ Chains
Zhang, P., Jian, S. -K., Liu, C., & Chen, X. (2021). Emergent Replica Conformal Symmetry in Non-Hermitian SYK $ _2 $ Chains. Quantum, 5, 579.
ENMC: Extreme Near-Memory Classification via Approximate Screening
Liu, L., Lin, J., Qu, Z., Ding, Y., & Xie, Y. (2021). ENMC: Extreme Near-Memory Classification via Approximate Screening.
Essays on the Distributional Effects of Environmental Policy
Cortes, D. H. (2021). Essays on the Distributional Effects of Environmental Policy.
Free energies of crystals computed using Einstein crystal with fixed center of mass and differing spring constants
Khanna, V., Anwar, J., Frenkel, D., Doherty, M. F., & Peters, B. (2021). Free energies of crystals computed using Einstein crystal with fixed center of mass and differing spring constants. The Journal Of Chemical Physics, 154, 164509. https://doi.org/10.1063/5.0044833
Gold-catalysed asymmetric net addition of unactivated propargylic C\textendashH bonds to tethered aldehydes
Li, T., Cheng, X., Qian, P., & Zhang, L. (2021). Gold-catalysed asymmetric net addition of unactivated propargylic C\textendashH bonds to tethered aldehydes. Nature Catalysis, 4, 164\textendash171. https://doi.org/10.1038/s41929-020-00569-8
ENMC: Extreme Near-Memory Classification via Approximate Screening
Liu, L., Lin, J., Qu, Z., Ding, Y., & Xie, Y. (2021). ENMC: Extreme Near-Memory Classification via Approximate Screening. Presented at the.

2020

Monomer Sequence Effects on Interfacial Width and Mixing in Self-Assembled Diblock Copolymers
Patterson, A. L., Yu, B., Danielsen, S. P. O., Davidson, E. C., Fredrickson, G. H., & Segalman, R. A. (2020). Monomer Sequence Effects on Interfacial Width and Mixing in Self-Assembled Diblock Copolymers. Macromolecules. https://doi.org/10.1021/acs.macromol.9b02426
Latent Models of Molecular Dynamics Data: Automatic Order Parameter Generation for Peptide Fibrillization
Charest, N., Tro, M., Bowers, M. T., & Shea, J. -E. (2020). Latent Models of Molecular Dynamics Data: Automatic Order Parameter Generation for Peptide Fibrillization. The Journal Of Physical Chemistry B, 124, 8012\textendash8022. https://doi.org/10.1021/acs.jpcb.0c05763
Learning composition-transferable coarse-grained models: Designing external potential ensembles to maximize thermodynamic information
Shen, K., Sherck, N., Nguyen, M., Yoo, B., Köhler, S., Speros, J., et al. (2020). Learning composition-transferable coarse-grained models: Designing external potential ensembles to maximize thermodynamic information. The Journal Of Chemical Physics, 153, 154116. https://doi.org/10.1063/5.0022808
Local slip resistances in equal-molar MoNbTi multi-principal element alloy
Xu, S., Su, Y., Jian, W. -R., & Beyerlein, I. J. (2020). Local slip resistances in equal-molar MoNbTi multi-principal element alloy. Acta Materialia. https://doi.org/10.1016/j.actamat.2020.10.042
First-principles surface energies for monoclinic Ga2O3 and Al2O3 and consequences for cracking of (Al x Ga1- x) 2O3
Mu, S., Wang, M., Peelaers, H., & Van de Walle, C. G. (2020). First-principles surface energies for monoclinic Ga2O3 and Al2O3 and consequences for cracking of (Al x Ga1- x) 2O3. Apl Materials, 8, 091105. https://doi.org/10.1063/5.0019915