activity
20102023
most citedPredicting phase behavior of grain boundaries with evolutionary search and machine learning

175 citations · 271 across the 13 of their papers we have counts for

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Showing 2010Show all

2 papers · 1 filter

cond-mat.mtrl-sci2010★ 5 cited

Thermodynamic stability of oxygen point defects in cubic Zirconia

Amit Samanta, Thomas Lenosky, Ju Li

Zirconia (ZrO2) is an important material with technological applications which are affected by point defect physics. Ab-initio calculations are performed to understand the structur…

physics.comp-ph2010

Modified string method for finding minimum energy path

Amit Samanta, Weinan E

We present an efficient algorithm for calculating the minimum energy path (MEP) and energy barriers between local minima on a multidimensional potential energy surface (PES). Such…