| Publication Date | Article Title | Author(s) |
| 19-Nov-2020 | Observation of [VCu1–Ini2+VCu1–] Defect Triplets in Cu-Deficient CuInS2 | Frick, Jessica J; Cheng, Guangming; Kushwaha, Satya; Yao, Nan; Wagner, Sigurd; et al |
| 3-Nov-2020 | Monte Carlo Renormalization Group for Classical Lattice Models with Quenched Disorder | Wu, Yantao; Car, Roberto |
| 27-Oct-2020 | Hydrogen Dynamics in Supercritical Water Probed by Neutron Scattering and Computer Simulations | Andreani, Carla; Romanelli, Giovanni; Parmentier, Alexandra; Senesi, Roberto; Kolesnikov, Alexander I; et al |
| 23-Sep-2020 | Constraints on the Efficiency of Engineered Electromicrobial Production | Salimijazi, Farshid; Kim, Jaehwan; Schmitz, Alexa M; Grenville, Richard; Bocarsly, Andrew; et al |
| 21-Sep-2020 | 86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy | Lu, Denghui; Wang, Han; Chen, Mohan; Lin, Lin; Car, Roberto; et al |
| 14-Sep-2020 | Cytotoxic alkyl-quinolones mediate surface-induced virulence in Pseudomonas aeruginosa | Vrla, Geoffrey D; Esposito, Mark; Zhang, Chen; Kang, Yibin; Seyedsayamdost, Mohammad R; et al |
| 20-Jul-2020 | Continuous-time Monte Carlo renormalization group | Wu, Yantao; Car, Roberto |
| 6-Jul-2020 | Influence of point defects on the electronic and topological properties of monolayer WTe2 | Muechler, Lukas; Hu, Wei; Lin, Lin; Yang, Chao; Car, Roberto |
| 25-Jun-2020 | A Dual-Mechanism Antibiotic Kills Gram-Negative Bacteria and Avoids Drug Resistance | Martin, James K; Sheehan, Joseph P; Bratton, Benjamin P; Moore, Gabriel M; Mateus, André; et al |
| 12-Jun-2020 | Deep neural network for the dielectric response of insulators | Zhang, Linfeng; Chen, Mohan; Wu, Xifan; Wang, Han; E, Weinan; et al |
| 29-May-2020 | A tps1Δ persister-like state in Saccharomyces cerevisiae is regulated by MKT1 | Gibney, Patrick A; Chen, Anqi; Schieler, Ariel; Chen, Jonathan C; Xu, Yifan; et al |
| 27-May-2020 | Phase equilibrium of liquid water and hexagonal ice from enhanced sampling molecular dynamics simulations | Piaggi, Pablo M; Car, Roberto |
| 30-Apr-2020 | Raman spectrum and polarizability of liquid water from deep neural networks | Sommers, Grace M; Calegari Andrade, Marcos F; Zhang, Linfeng; Wang, Han; Car, Roberto |
| 17-Apr-2020 | Quantum ESPRESSO toward the exascale | Giannozzi, Paolo; Baseggio, Oscar; Bonfà, Pietro; Brunato, Davide; Car, Roberto; et al |
| 11-Feb-2020 | Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based Ab Initio Molecular Dynamics. 1. Theory, Algorithm, and Performance | Ko, Hsin-Yu; Jia, Junteng; Santra, Biswajit; Wu, Xifan; Car, Roberto; et al |
| 28-Jan-2020 | Free energy of proton transfer at the water–TiO2 interface from ab initio deep potential molecular dynamics | Calegari Andrade, Marcos F; Ko, Hsin-Yu; Zhang, Linfeng; Car, Roberto; Selloni, Annabella |
| 24-Jan-2020 | Weak-field induced nonmagnetic state in a Co-based honeycomb | Zhong, Ruidan; Gao, Tong; Ong, Nai Phuan; Cava, Robert J |
| 8-Jan-2020 | Quantum momentum distribution and quantum entanglement in the deep tunneling regime | Wu, Yantao; Car, Roberto |
| 2020 | Reduced Recombination and Capacitor-like Charge Buildup in an Organic Heterojunction | Schwarz, KN; Geraghty, PB; Mitchell, VD; Khan, S-U-Z; Sandberg, OJ; et al |
| 1-Dec-2019 | Author Correction: Layer-dependent quantum cooperation of electron and hole states in the anomalous semimetal WTe2. | Das, Pranab Kumar; Di Sante, Domenico; Vobornik, Ivana; Fujii, J.; Okuda, T.; et al |
