APRIL 13, 2024 Journal Article Development and Application of Hybrid AIMD/cDFT Simulations for Atomic-to-Mesoscale Chemistry ( Read More )
APRIL 5, 2024 Journal Article Influence of soil depth, irrigation, and plant genotype on the soil microbiome, metaphenome, and carbon chemistry ( Read More )
MARCH 28, 2024 Journal Article Structural adaptation of fungal cell wall in hypersaline environment ( Read More )
MARCH 15, 2024 Journal Article Acceleration of Graph Neural Network-based Prediction Models in Chemistry via Co-design Optimization on Intelligence Processing Units ( Read More )
MARCH 14, 2024 Journal Article Soil microbiome engineering for sustainability in a changing environment ( Read More )
FEBRUARY 22, 2024 Journal Article Erratum Breaking covalent bonds in the context of the many-body expansion (MBE). I. The purported “first row anomaly” in XHn (X = C, Si, Ge, Sn; n = 1–4) [J. Chem. Phys. 156, 244303 (2022)] ( Read More )
FEBRUARY 20, 2024 Journal Article Accurate calculation of many-body energies in water clusters using a classical geometry-dependent induction model ( Read More )
FEBRUARY 15, 2024 Journal Article Editorial for Special Issue "Advances in Soil Microbiome" ( Read More )
FEBRUARY 15, 2024 Journal Article A Perspective on Sustainable Computational Chemistry Software Development and Integration ( Read More )
FEBRUARY 15, 2024 Journal Article Uncovering the Dominant Role of Root Metabolism in Shaping Rhizosphere Metabolome under Drought in Tropical Rainforest Plants ( Read More )
FEBRUARY 15, 2024 Journal Article Binding of Radionuclides and Surrogate to 18-Crown-6 Ether by Density Functional Theory ( Read More )
FEBRUARY 15, 2024 Journal Article ECCE sensitivity studies for single hadron transverse single spin asymmetry measurements ( Read More )
FEBRUARY 15, 2024 Journal Article Structure and composition of natural ferrihydrite nano-colloids in anoxic groundwater ( Read More )
FEBRUARY 15, 2024 Journal Article Triple excitations in Green's function coupled cluster solver for studies of strongly correlated systems in the framework of self-energy embedding theory ( Read More )
FEBRUARY 15, 2024 Journal Article Evaluating Uncertainty-Based Active Learning for Accelerating the Generalization of Molecular Property Prediction ( Read More )
FEBRUARY 15, 2024 Book Chapter Harness the power of atomistic modeling and deep learning in biofuel separation ( Read More )
NOVEMBER 8, 2023 Journal Article Improved scientific knowledge of methanogenesis and methanotrophy needed to slow climate change during the next 30 years ( Read More )
OCTOBER 31, 2023 Report Worth More Dead than Alive? Quantifying Necromass Persistence for Terrestrial Carbon Storage ( Read More )