Benchmarking the Surface Hopping Method to Include Nuclear Quantum Effects
Sindhu, Aarti; Jain, Amber.
J. Chem. Theo. Comp. 2021, 17, 655-665.
Hierarchical equations of motion in the Libra software package
Temen, Story; Jain, Amber; Akimov, Alexey V.
Int J Quantum Chem. 2020;120:e26373.
Simple and Efficient Theoretical Approach To Compute 2D Optical Spectra
Jain, Amber; Petit, Andrew S; Anna, Jessica M; Subotnik, Joseph E.
J. Phys. Chem. B, 2019, 123, 1602-1617
Vibrational Energy Relaxation: A Benchmark for Mixed Quantum–Classical Methods
Jain, Amber; Subotnik, Joseph E.;
J. Phys. Chem. A, 2018, 122 (1), 16–27
Ultrafast Electronic Relaxation through a Conical Intersection: Nonadiabatic Dynamics Disentangled through an Oscillator Strength-Based Diabatization Framework.
Medders, Gregory R.; Alguire, Ethan C.; Jain, Amber; Subotnik, Joseph E.
J. Phys. Chem. A, 2017, 121, 1425-1434
An assessment of mean-field mixed semiclassical approaches: Equilibrium populations and algorithm stability.
Bellonzi, Nicole; Jain, Amber; Subotnik, Joseph E.
J. Chem. Phys., 2016, 144, 154110/1-154110/14
An Efficient, Augmented Surface Hopping Algorithm That Includes Decoherence for Use in Large-Scale Simulations.
Jain, Amber; Alguire, Ethan; Subotnik, Joseph E.
J. Chem. Theory Comput., 2016, 12, 5256-5268
Dynamics of Barrier Crossings for the Generalized Anderson-Holstein Model: Beyond Electronic Friction and Conventional Surface Hopping.
Ouyang, Wenjun; Dou, Wenjie; Jain, Amber; Subotnik, Joseph E.
J. Chem. Theory Comput., 2016, 12, 4178-4183
Understanding the Surface Hopping View of Electronic Transitions and Decoherence.
Subotnik, Joseph E.; Jain, Amber; Landry, Brian; Petit, Andrew; Ouyang, Wenjun; Bellonzi, Nicole.
Annu. Rev. Phys. Chem., 2016, 67, 387-417
Does Nonadiabatic Transition State Theory Make Sense Without Decoherence?.
Jain, Amber; Subotnik, Joseph E.
J. Phys. Chem. Lett., 2015, 6, 4809-4814
Surface hopping, transition state theory and decoherence. I. Scattering theory and time-reversibility.
Jain, Amber; Herman, Michael F.; Ouyang, Wenjun; Subotnik, Joseph E.
J. Chem. Phys., 2015, 143, 134106/1-134106/10
Tunneling splittings in formic acid dimer: An adiabatic approximation to the Herring formula.
Jain, Amber; Sibert, Edwin L.
J. Chem. Phys., 2015, 142, 084115/1-084115/11
Vibrational relaxation of chloroiodomethane in cold argon.
Jain, Amber; Sibert, Edwin L., III.
J. Chem. Phys., 2013, 139, 144312/1-144312/9
Quantum localization, dephasing and vibrational energy flow in a trans-formanilide (TFA)-H2O complex.
Agbo, Johnson K.; Jain, Amber; Leitner, David M.
Chem. Phys., 2010, 374, 111-117