Publications

Title Author Year Publication type
Free-atom-like d states beyond the dilute limit of single-atom alloys Rosen AS; Persson KA 2023 Journal Article
Conformational Change of Nucleosome Arrays prior to Phase Separation Zhang M; Celis CD; Ren G; Bustamante CJ 2023 Journal Article
High-performing polysulfate dielectrics for electrostatic energy storage under harsh conditions Li H; Liu Y; Xu T 2023 Journal Article
Catenated covalent organic frameworks constructed from polyhedra Ma T; Yaghi OM 2023 Journal Article
Chemical reaction networks and opportunities for machine learning Wen M; Persson KA 2023 Journal Article
Evidence for excitonic insulator ground state in triangulene Kagome lattice Delgado A; Dusold C; Jing J; Cronin A; Dadich C; Louie SG; Fischer FR 2023 Journal Article
Sequence Design of Random Heteropolymers as Protein Mimics Jayapurna I; Xu T 2023 Journal Article
Spatially resolved structural order in low-temperature liquid electrolyte Xie Y; Zheng H; Persson KA 2023 Journal Article
Bidirectional phonon emission in two-dimensional heterostructures triggered by ultrafast charge transfer Sood A; Raja A; Neaton JB 2022 Journal Article
Bidirectional phonon emission in two-dimensional heterostructures triggered by ultrafast charge transfer Sood A; Haber JB; Carlström J; Peterson EA; Neaton JB; Heinz TF; Lindenberg AM; da Jornada FH; Raja A 2022 Journal Article
Current-enabled optical conductivity of superconductors Papaj M; Moore JE 2022 Journal Article
Fe Substitutions Improve Spectral Response of Bi2WO6-Based Photoanodes Zhou L; Peterson EA; Richter MH; Richter MH; Lai Y; Gregoire JM; Neaton JB 2022 Journal Article
Charge Transfer Dynamics in MoSe2/hBN/WSe2 Heterostructures Yoon Y; Zhang Z; Qi R; Joe AY; Sailus R; Watanabe K; Taniguchi T; Tongay S; Wang F 2022 Journal Article
An embedded interfacial network stabilizes inorganic CsPbI3 perovskite thin films Steele JA ......; Yang P; Hofkens J; Speybroeck VV; Roeffaers MBJ 2022 Journal Article
Elementary Decomposition Mechanisms of Lithium Hexafluorophosphate in Battery Electrolytes and Interphases Spotte-Smith EWC; Persson KA 2022 Journal Article
High-fidelity qutrit entangling gates for superconducting circuits Goss N ........; Santiago DI; Wallman JJ; Siddiqi I 2022 Journal Article
Density functional theory assessment of the lithiation thermodynamics and phase evolution in si-based amorphous binary alloys Sivonxay E; Persson KA 2022 Journal Article
Broadly Tunable Atmospheric Water Harvesting in Multivariate Metal–Organic Frameworks Zheng Z; Hanikel N; Lyu H; Yaghi OM 2022 Journal Article
Zwitterions in 3D Perovskites: Organosulfide-Halide Perovskites Li J; Chen Z; Ginsberg NS; Chapman KW; Filip MR; Karunadasa HI 2022 Journal Article
Programmable Heisenberg interactions between Floquet qubits Nguyen LB .......; Jordan AN; Santiago DI; Siddiqi I 2022 Journal Article
Big Data in a Nano World: A Review on Computational, Data-Driven Design of Nanomaterials Structures, Properties, and Synthesis Yang RX; McCandler CA; Andriuc O; Siron M; Woods-Robinson R; Horton MK; Persson KA 2022 Journal Article
Non-Volatile Nano-Electro-Mechanical Switches and Hybrid Circuits in a 16 nm CMOS Back-End-of-Line Process Sikder U; Naous R; Stojanović V; Liu TJK 2022 Journal Article
Low voltage AC electroluminescence in silicon MOS capacitors Rahman IKMR; Uddin SZ; Kim H; Higashitarumizu N; Javey A 2022 Journal Article
Polarization dependent photoemission as a probe of the magnetic ground state in the van der Waals ferromagnet VI3 Bergner, D; Kong, T; Ai, P; Cava, RJ; Lanzara, A; Ojeda-Aristizabal, C 2022 Journal Article
Kinetic frustration by limited bond availability controls the LAT protein condensation phase transition on membranes Sun S; GrandPre T; Limmer DT; Groves JT 2022 Journal Article
Coupled charge and energy transfer dynamics in light harvesting complexes from a hybrid hierarchical equations of motion approach Fay TP; Limmer DT 2022 Journal Article
Electronic structure of strain-tunable Janus WSSe–ZnO heterostructures from first-principles Peterson EA; Debela TT; Gomoro GM; Neaton JB; Asres GA 2022 Journal Article
A representation-independent electronic charge density database for crystalline materials Shen J-X; Munro JM; Horton MK; Huck P; Dwaraknath S; Persson KA 2022 Journal Article
Exploring the Morphotropic Phase Boundary in Epitaxial PbHf1–xTixO3 Thin Films Acharya M; Ling H; Lou D; Ramesh M; Hanrahan B; Velarde G; Asta M; Persson KA; Martin LW 2022 Journal Article
High-yield, green and scalable methods for producing MOF-303 for water harvesting from desert air Zheng Z; Nguyen HL; Hanikel N; Li KK; Zhou Z; Ma T; Yaghi OM 2022 Journal Article
High-yield, green and scalable methods for producing MOF-303 for water harvesting from desert air Zheng Z; Yaghi OM 2022 Journal Article
Nonadiabatic transition paths from quantum jump trajectories Anderson MC; Schile AJ; Limmer DT 2022 Journal Article
System of sequences in multivariate reticular structures Canossa S; Ji Z; Gropp C; Rong Z; Ploetz E; Wuttke S; Yaghi OM 2022 Journal Article
Evaluation of the Stability of Diamine-Appended Mg2(dobpdc) Frameworks to Sulfur Dioxide Parker ST; Smith A; Forse AC; Neaton JB; Reimer JA; Long JR 2022 Journal Article
SWAP Gate between a Majorana Qubit and a Parity-Protected Superconducting Qubit Chirolli L; Yao NY; Moore JE 2022 Journal Article
Toward abiotic sugar synthesis from CO2 electrolysis Cestellos-Blanco S; Louisia S; Ross MB; Li Y; Soland NE; Detomasi TC; Nomura DK; Cestellos Spradlin JN; Yang P 2022 Journal Article
Band gaps of halide perovskites from a Wannier-localized optimally tuned screened range-separated hybrid functional Ohad G; Wing D; Gant SE; Cohen AV; Haber JB; Sagredo F; Filip MR; Neaton JB; Kronik L 2022 Journal Article
Materials design principles of amorphous cathode coatings for lithium-ion battery applications Cheng J; Dong KD; Persson KA 2022 Journal Article
Static Disorder has Dynamic Impact on Energy Transport in Biomimetic Light-Harvesting Complexes Hamerlynck LM; Bischoff AJ.......; Francis MB; Ginsberg NS 2022 Journal Article
From an antiferromagnetic insulator to a strongly correlated metal in square-lattice MCl2(pyrazine)2 coordination solids Perlepe P; Oyarzabal I; Voigt L; Kubus M; Pedersen KS; Vignolle B; Mathoniere C; Long JR; Neaton JB; Clerac R 2022 Journal Article
Evidence for a Spinon Kondo Effect in Cobalt Atoms on Single-Layer 1T-TaSe2 Chen, Y.; He, W.-Y.; Ruan, W.…..; Mo, S.-K.; Lee, P. A.; Crommie, M. F. 2022 Journal Article
Exploration of the bio-analogous asymmetric C–C coupling mechanism in tandem CO2 electroreduction Chen C; Yu S; Yang Y; Louisia S; Roh I; Jin J; Chen S; Chen P-C; Shan Y; Yang P 2022 Journal Article
Screening of Excitons by Organic Cations in Quasi-Two-Dimensional Organic–Inorganic Lead-Halide Perovskites Filip MR; Qiu DY; Del Ben M; Neaton JB 2022 Journal Article
Theory-Guided Exploration of the Sr2Nb2O7 System for Increased Dielectric and Piezoelectric Properties and Synthesis of Vanadium-Alloyed Sr2Nb2O7 Kingsbury RS; Rosen AS; Gupta AS; Munro JM; Ong SP; Jain A; Dwaraknath S; Horton MK; Persson KA 2022 Journal Article
Expanding the Material Search Space for Multivalent Cathodes Rutt A; Shen J-X; Horton M; Kim J; Lin J; Persson KA 2022 Journal Article
Renormalization of excitonic properties by polar phonons Park Y; Limmer DT 2022 Journal Article
A flexible and scalable scheme for mixing computed formation energies from different levels of theory Kingsbury RS; Rosen AS; Gupta AS; Munro JM; Ong SP; Jain A; Dwaraknath S; Horton MK; Persson KA 2022 Journal Article
Temperature Dependence of the Relative Rates of Chlorination and Hydrolysis of N2O5 in NaCl-Water Solutions. Kegel S; Derrah TF; Moon SJ; Limmer DT; Nathanson GM; Bertram TH 2022 Journal Article
Direct geometric probe of singularities in band structure Brown CD; Chang SW; Schwarz MN; Leung TH; Kozii V; Avdoshkin A; Moore JE; Stamper-Kurn D 2022 Journal Article
Cotemporal Single-Molecule Force and Fluorescence Measurements to Determine the Mechanism of Ribosome Translocation Desai, VP; Frank, P; Bustamante, CJ 2022 Journal Article