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We report on a theoretical framework for calculating the thermal conductivity of liquid water from first principles with the aid of the linear scaling method. We also discuss the possibility… Click to show full abstract
We report on a theoretical framework for calculating the thermal conductivity of liquid water from first principles with the aid of the linear scaling method. We also discuss the possibility of obtaining equilibrium properties from a nonequilibrium trajectory.
Keywords:
thermal conductivity;
liquid water;
conductivity liquid;
water reverse
Journal Title: Journal of the Physical Society of Japan
Year Published: 2018
Link to full text (if available)
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Journal Title: Journal of the Physical Society of Japan
Year Published: 2018
Link to full text (if available)
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recommendations!