A computational method for finding transition states in chemical reactions, greatly reducing computational costs with high reliability, has been devised. Compared to the most widely used existing method, the present method reduces the total computational cost by approximately 50 to 70%. The development, available on GitHub, is poised to accelerate advancements in material science, making the exploration of chemical reactions more accessible and efficient.
A computational method for finding transition states in chemical reactions, greatly reducing computational costs with high reliability, has been devised. Compared to the most widely used existing method, the present method reduces the total computational cost by approximately 50 to 70%. The development, available on GitHub, is poised to accelerate advancements in material science, making the exploration of chemical reactions more accessible and efficient. A computational method for finding transition states in chemical reactions, greatly reducing computational costs with high reliability, has been devised. Compared to the most widely used existing method, the present method reduces the total computational cost by approximately 50 to 70%. The development, available on GitHub, is poised to accelerate advancements in material science, making the exploration of chemical reactions more accessible and efficient.