QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: narin on January 1, 2024, 11:23

Title: Time-dependent DFT in Quantumatk
Post by: narin on January 1, 2024, 11:23

Dear sirs,

Is it possible to simulate the water radiolysis in Quantumatk such as in this paper: https://pubs.acs.org/doi/abs/10.1021/acs.jpca.8b01259

Thanks
Narin

Title: Re: Time-dependent DFT in Quantumatk
Post by: Anders Blom on January 5, 2024, 20:38

No, this is not implemented in QuantumATK.

Title: Re: Time-dependent DFT in Quantumatk
Post by: narin on January 10, 2024, 06:12

Thanks for the reply.