High-performance Computing Unit (CECC-HCU) https://validator.w3.org/feed/docs/rss2.html Research highlight: On-line Optimization of Integrated Carbon Capture and Conversion Process via the Ratings Concept: A Combined DFT and Microkinetic Modeling Approach Test3 Test – 20255 Test-2 Database of *H adsorption on PtPd-based high-entropy alloys About us TPEM 2.0 Database Research highlight: A density functional theory study on how γ-Al2O3 – Boehmite transformation affects carbon evolution during aqueous-phase reaction Research highlight: The role of metal-doping on the enhanced electrocatalytic properties of α-MnO2 during oxygen reduction reaction Research highlight: First-principles calculation on effects of oxygen vacancy on α-MnO2 and β-MnO2 during oxygen reduction reaction for rechargeable metal-air batteries Adsorption energies of *COOH and *HCOO on Cu-Zn-Pd-Ag-Au high-entropy alloy (111) surfaces C-C bond of *HOCCOH on Cu-Zn-Pd-Ag-Au high-entropy alloy (111) surfaces Adsorption energies of *C2H4 on Cu-Zn-Pd-Ag-Au high-entropy alloy (111) surfaces Gibbs free energies of *H on Cu-Zn-Pd-Ag-Au high-entropy alloy (111) surfaces Adsorption energies of *H on Cu-Zn-Pd-Ag-Au high-entropy alloy (111) surfaces Adsorption energies of *CO2 on Cu-Zn-Pd-Ag-Au high-entropy alloy (111) surfaces Adsorption energies of *HOCCOH on Cu-Zn-Pd-Ag-Au high-entropy alloy (111) surfaces Adsorption energies of *H on Cu-Mn-Ni-Zn high-entropy alloy (111) surfaces Database of Cu-Pt-Sn-Zn high-entropy-alloy (111) catalysts for CO2RR to HCOOH Adsorption energies of *CO2 on Cu-Mn-Ni-Zn high-entropy alloy (111) surfaces Adsorption energies of *COH on Cu-Mn-Ni-Zn high-entropy alloy (111) surfaces Adsorption energies of *CHO on Cu-Mn-Ni-Zn high-entropy alloy (111) surfaces Adsorption energies of *CH4 on Cu-Mn-Ni-Zn high-entropy alloy (111) surfaces Adsorption energies of *CH3OH on Cu-Mn-Ni-Zn high-entropy alloy (111) surfaces Database of Cu-Zn-Pd-Ag-Au high-entropy-alloy (111) surfaces Adsorption energies on Cu-Mn-Ni-Zn high-entropy alloy (111) surfaces for CO2RR to CH4 and CH3OH H2O adsorption on PtPd-based high-entropy alloys Bulk-structure database of 9,193 PtPd-based high-entropy alloys Database of Cu-Pt-Sn-Zn high-entropy-alloy (111) surfaces backup catalyst database Research Highlights Acknowledgement H2O adsorption on PtPd-based high-entropy alloys Bulk-structure database of 9,193 PtPd-based high-entropy alloys. Database of Cu-Zn-Pd-Ag-Au high-entropy-alloy (111) surfaces Adsorption energies of *HCOOH on Cu-Pt-Sn-Zn high-entropy alloy (111) surfaces Adsorption energies of *HCOO on Cu-Pt-Sn-Zn high-entropy alloy (111) surfaces Adsorption energies of *COOH on Cu-Pt-Sn-Zn high-entropy alloy (111) surfaces Adsorption energies of *H on Cu-Pt-Sn-Zn high-entropy alloy (111) surfaces Adsorption energies of *CO2 on Cu-Pt-Sn-Zn high-entropy alloy (111) surfaces *H adsorption on PtPd-based high-entropy alloys What’s new? Adsorption energies on Cu-Mn-Ni-Zn high-entropy alloy (111) surfaces for CO2 Reduction to CH4 and CH3OH HCU Memories Research highlight: How can the PtPd-based high-entropy alloy triumphs conventional TWC catalyst during the NO reduction? A Density Functional Theory Study Research highlight: First-principles active-site model design for high-entropy-alloy catalyst screening: The impact of host element selection on catalytic properties. Advanced Theory and Simulations How to use the TPEM 2.0 Database Research highlight: First-Principles Investigations on Effects of B-site Substitution (B = Mn, Fe, and Co) on La-based Perovskite Oxides as Bifunctional Electrocatalysts for Rechargeable Metal-Air Batteries