We consider the duality between computation and measurement emerging from the thermodynamics of Turing machines. This duality suggests a new measure of complexity (physical complexity) which corresponds to our intuition and appears to be practical enough to estimate the complexity of genomes. From an automata theoretic point of view, this complexity is just the mutual information between a ther...

Irreversible information processing cannot be carried out without some inevitable thermodynamical work cost. This fundamental restriction, known as Landauer's principle, is increasingly relevant today, as the energy dissipation of computing devices impedes the development of their performance. Here we determine the minimal work required to carry out any logical process, for instance a computati...

The thermodynamic properties of the supercooled liquid state of the mW model of water show anomalous behavior. Like in real water, the heat capacity and compressibility sharply increase upon supercooling. One of the possible explanations of these anomalies, the existence of a second (liquid-liquid) critical point, is not supported by simulations for this model. In this work, we reproduce the an...

Thermodynamic models and Soft-computing method of Neural Network (NN) were used for computation of sesame seed dehydration energy (heat and entropy). The NN method for prediction of the Equilibrium Moisture Content (EMC) of sesame seed was utilized. The heat of sorption of sesame seed is predicted by a mathematical model. After well training of the NN model, predictive power of the model was fo...

Nested Sampling (NS) is a powerful athermal statistical mechanical sampling technique that directly calculates the partition function, and hence gives access to all thermodynamic quantities in absolute terms, including absolute free energies and absolute entropies. NS has been used predominately to compute the canonical (NVT) partition function. Although NS has recently been used to obtain the ...

There are a large number of binary liquid alloys the thermodynamic properties of mixing of which are not symmetrical about the equi-atomic composition—deviating maximally from those of the ideal alloys. Here we have considered three such alloys—indium-sodium, cadmium-sodium and copper-tin—and tried to calculate their heat of mixing at different concentrations of the ingredients. The liquidus li...

the reaction of ch₃nh₂ with o₂ on the singlet potential energy surfaces (pes) was carried out using the b3lyp, ccsd(t) and g3b3 theoretical approaches along with 6-311++g(3df,3pd) basis set. the suggested mechanism for the title reaction consists of one pre-reactive complex. from the pre-reactive complex, nine types of products, ch2nh+h2o2, ch3nh+ooh, nh2cho+h2o, ch2nho+h2o, nh3+hcooh, ch2nh+h2...

Abstract Calculations of point defect energetics with Density Functional Theory (DFT) can provide valuable insight into several optoelectronic, thermodynamic, and kinetic properties. These calculations commonly use methods ranging from semi-local functionals a-posteriori corrections to more computationally intensive hybrid functional approaches. For applications DFT-based high-throughput comput...