Sergei Manzhos

Presentation History

2024 MRS Spring Meeting & Exhibit

Exploring Carbon Nanoflake Based Materials for Charge Transport Layers of Perovskite Solar Cells: A Combined DFT-DFTB Study Including Effects of Solid-State Packing

May 9, 2024, 9:00 AM

2024 MRS Spring Meeting & Exhibit

Effects of Nanosizing of Zirconia and Bandstructure Modulation on Catalytic Activity: Insights from a Combined Density Functional Tight Binding – Order(N) Density Functional Theory Study

May 8, 2024, 8:15 AM

2024 MRS Spring Meeting & Exhibit

Modelling of Natural-Like Grain Generation of TiO2 and its effect on Band Structures

May 8, 2024, 8:00 AM

2024 MRS Spring Meeting & Exhibit

Exploring The Application of Hybrid DFTB-Molecular Mechanics Approach to Computing Optical Properties

May 7, 2024, 8:15 AM

2023 MRS Fall Meeting & Exhibit

Neural Networks with Optimized Neuron Activation Functions and Without Nonlinear Optimization or How to Prevent Overfitting, Cut CPU Cost and Get Physical Insight All at Once

Dec 7, 2023, 11:20 AM

2023 MRS Fall Meeting & Exhibit

Carbon Nanoflake Based Materials for Charge Transport Layers of Perovskite Solar Cells: Insight from Atomistic Modeling into Nanosizing and Functionalizations Suitable for Electron and Hole Transport

Dec 7, 2023, 10:40 AM

2023 MRS Fall Meeting & Exhibit

Effect of Naturally Generated Mictostructure of a Ceramic on Ion Transport—Lithiation of Titania

Dec 5, 2023, 8:15 AM

2022 MRS Fall Meeting

Hybrid Density Functional based Tight Binding-Molecular Mechanics Approach with Machine Learned Potentials for Large-Scale Materials Modeling

Dec 6, 2022, 8:00 AM

2022 MRS Spring Meeting

Modeling of the Effects of Porosity and Passivation on Porous Silicon

May 23, 2022, 11:00 AM

2021 MRS Fall Meeting

Late News: Structured Gaussian Process Regression Models to Address Difficulties in Modeling Very High Dimensional Data with Product Kernels

Dec 6, 2021, 5:30 PM

2021 MRS Fall Meeting

Role of Amorphous Silica Interlayer in Enhancing the Performance of Perovskite/Silicon Tandem Solar Cells

Dec 6, 2021, 5:05 PM

2021 MRS Fall Meeting

Local Gaussian Process Regression for Interatomic Potentials

Dec 6, 2021, 8:30 AM

2021 MRS Spring Meeting

Modeling Metal-Insulator Transition of VO₂ with GGA with Small Hubbard Parameters

Apr 23, 2021, 1:05 PM

2021 MRS Spring Meeting

High Dimensional Model Representation - Gaussian Process Regression—A Powerful Tool to Learn Multivariae Functions from Sparse Data

Apr 19, 2021, 2:05 PM

2019 MRS Fall Meeting

Modeling of Aggregate State Effects on Electronic Proprties of Hole Transporting Materials for Perovksite Solar Cells

Dec 3, 2019, 8:00 PM

2019 MRS Fall Meeting

On the Proximity of Formamidinium-Centered States in Formamidinium-Doped Methylammonium Lead Iodide and Formamidinium Lead Iodide

Dec 2, 2019, 8:00 PM

2019 MRS Fall Meeting

Has the Ubiquitous Use of Plane Wave DFT Codes Distorted the Perception of Functional Behavior and of the Need for +U?

Dec 2, 2019, 8:30 AM

2018 MRS Spring Meeting

A First-Principles Study of the Potassium Insertion in Crystalline Vanadium Oxide Phases as Possible Potassium-Ion Battery Cathode Materials

Apr 6, 2018, 11:00 AM

2018 MRS Spring Meeting

Improvements in Energetics and Voltage of Aluminum Insertion by Amorphization of Vanadium Dioxide

Apr 6, 2018, 8:30 AM

2018 MRS Spring Meeting

The Mismatch Between Charge and Formal Oxidation State of Titanium in Titanium Dioxide and Its Implications Towards Our View of Redox Processes

Apr 5, 2018, 4:30 PM