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The energies obtained using first principles methods only accounts for the ground state (temperature T ~ 0 K, pressure P = 0 Pa) electronic energies, E, which are a part of the thermodynamic internal ... moreenergies or free energies. QuickThermo is a software package that can be used to extend the ground state energy to finite temperatures and pressures. To do this QuickThermo uses ab initio thermodynamics, which combines the results calculated from first principles at the ground state and the extensive thermodynamic data measured at the standard state, to return the Gibb's free energy. QuickThermo is also capable of accounting for the effect of a mixture of reservoirs (e.g. including humidity effect) to capture the impact of complex surrounding environments. QuickThermo has a user friendly interface with a number of functionalities including a global database where users can expand their own library of elements and access them throughout different projects; a fitting tool based on Genetic Algorithm to extract Shomate coefficients from thermochemical data, and batch processing to facilitate calculations of a large range of environmental conditions. Some basic plotting tools are also embedded to provide insights on the data and outcomes. This version of QuickThermo runs on a Windows operating system.
To install, download and unzip QuickThermo.zip, then run setup.exeless
AI for Advanced Materials - Graphene Machine - Applied Machine Learning Software Platform - Published 25 Jul 2019
Processed global climate model outputs and derived analysis from ‘historical’ and RCP simulations from CMIP5 models. A set of up to 26 models were used for all PACCSAP reporting, but some other models... more are now processed as well as part of the NRM and ACCSP projects.
Datasets are complete time series as well averages for 1986-2005, 2020-2039, 2040-2059, 2060-2079 and 2080-2099.
Derived variables are:
• Climatologies for each period
• Changes between periods (absolute and %)
• Expert Team on Climate Change Detection and Indices (ETCCDI) extremes indices (e.g. annual maximums)
• Average recurrence interval (ARI) calculations of 1-year, 2-year, 5-year, 10-year, 20-year, 50-year and 100-year events fro rainfall and temperature extremes
• Standardised precipitation index (SPI) of meteorological drought
• Area-average means and changes for each partner nation and each NRM cluster region for all fieldsless
CLSD PCCSAP 3.3.1 CMIP5 Model Evaluation - Climate model evaluation - Published 14 Jun 2019
Historic and future 20-year climatologies of CMIP5 data on native model grid for annual, seasonal and monthly seasons. Up to 40 models from the CMIP5 archive are available.
Historic: ... more
2015-2034, 2020-2039, 2025-2044
2030-2049, 2035-2054, 2040-2059
2045-2064, 2050-2069, 2055-2074
2060-2079, 2065-2084, 2070-2089
2075-2094, 2080- 2099
historical, rcp26, rcp45, rcp60, rcp85
Seasonal (DJF, MAM, JJA, SON)
6-month seasons (NDJFMA, MJJASO)
Surface Temperature, Rainfall, Wind Speed, Solar Radiation,
Maximum Surface Temperature, Minimum Surface Temperature,
Drought, Extreme Rainfall (1-in20 Year), Evapotransporation
CLSD PCCSAP Climate Futures V2 - CMIP 5 model archive - Published 14 Jun 2019